N-[3-(2-chlorophenothiazin-10-yl)propyl]-1-methyl-N-[3-(2-methylphenothiazin-10-yl)propyl]piperidin-4-amine

C37H41ClN4S2 — CID 158500494

IUPACN-[3-(2-chlorophenothiazin-10-yl)propyl]-1-methyl-N-[3-(2-methylphenothiazin-10-yl)propyl]piperidin-4-amine
SMILESCc1ccc2c(c1)N(CCCN(CCCN1c3ccccc3Sc3ccc(Cl)cc31)C1CCN(C)CC1)c1ccccc1S2
InChIInChI=1S/C37H41ClN4S2/c1-27-13-15-36-32(25-27)41(30-9-3-5-11-34(30)43-36)21-7-19-40(29-17-23-39(2)24-18-29)20-8-22-42-31-10-4-6-12-35(31)44-37-16-14-28(38)26-33(37)42/h3-6,9-16,25-26,29H,7-8,17-24H2,1-2H3
InChIKeySUGPSWJWJOSUEW-UHFFFAOYSA-N
MW641.35 g/mol
LogP9.73
Rot. Bonds9

About N-[3-(2-chlorophenothiazin-10-yl)propyl]-1-methyl-N-[3-(2-methylphenothiazin-10-yl)propyl]piperidin-4-amine

N-[3-(2-chlorophenothiazin-10-yl)propyl]-1-methyl-N-[3-(2-methylphenothiazin-10-yl)propyl]piperidin-4-amine (PubChem CID 158500494) has the molecular formula C37H41ClN4S2 and a molecular weight of 641.35 g/mol. Its IUPAC name is N-[3-(2-chlorophenothiazin-10-yl)propyl]-1-methyl-N-[3-(2-methylphenothiazin-10-yl)propyl]piperidin-4-amine.

Molecular Properties

Compound NameN-[3-(2-chlorophenothiazin-10-yl)propyl]-1-methyl-N-[3-(2-methylphenothiazin-10-yl)propyl]piperidin-4-amine
PubChem CID158500494
Molecular FormulaC37H41ClN4S2
Molecular Weight641.35 g/mol
Exact Mass640.25
IUPAC NameN-[3-(2-chlorophenothiazin-10-yl)propyl]-1-methyl-N-[3-(2-methylphenothiazin-10-yl)propyl]piperidin-4-amine
SMILESCc1ccc2c(c1)N(CCCN(CCCN1c3ccccc3Sc3ccc(Cl)cc31)C1CCN(C)CC1)c1ccccc1S2
InChIInChI=1S/C37H41ClN4S2/c1-27-13-15-36-32(25-27)41(30-9-3-5-11-34(30)43-36)21-7-19-40(29-17-23-39(2)24-18-29)20-8-22-42-31-10-4-6-12-35(31)44-37-16-14-28(38)26-33(37)42/h3-6,9-16,25-26,29H,7-8,17-24H2,1-2H3
InChIKeySUGPSWJWJOSUEW-UHFFFAOYSA-N
XLogP9.73
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500641.35
LogP ≤ 59.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-[3-(2-chlorophenothiazin-10-yl)propyl]-1-methyl-N-[3-(2-methylphenothiazin-10-yl)propyl]piperidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-chloro-10-[3-(4-methylpiperazin-1-ium-1-yl)propyl]phenothiazine
CID 25203624
2-chloro-10-[3-(4-methylpiperidin-1-yl)propyl]phenothiazine
CID 91189006
2-chloro-10-[3-(4-propylpiperazin-1-yl)propyl]phenothiazine;methane;10-[3-(4-methylpiperazin-1-yl)propyl]-2-(trifluoromethyl)phenothiazine;2-methyl-10-[3-(4-propylpiperazin-1-yl)propyl]phenothiazine
CID 165091740
3-(2-chlorophenothiazin-10-yl)-N,N-bis(ethenyl)propan-1-amine
CID 163912126
2-methyl-10-[[(3S)-1-methylpiperidin-3-yl]methyl]phenothiazine
CID 164922828
2-[4-[3-(2-methylphenothiazin-10-yl)propyl]piperidin-1-yl]ethanamine
CID 58080970
3-(2-chlorophenothiazin-10-yl)-N,N-bis(1,1,2,2,2-pentadeuterioethyl)propan-1-amine;hydrochloride
CID 71314834
3-(2-chlorophenothiazin-10-yl)-N,N-bis(prop-2-enyl)propan-1-amine
CID 110174342
2-[4-[3-(2-methylphenothiazin-10-yl)propyl]piperazin-1-yl]ethanol
CID 67474879
2-(2-chlorophenothiazin-10-yl)ethanamine
CID 71258304
2-chloro-10-[3-(4-pyrrolidin-1-ylpiperidin-1-yl)propyl]phenothiazine
CID 135251810
2-chloro-10-[4-(4-pyrrolidin-1-ylpiperidin-1-yl)butyl]phenothiazine
CID 135251804

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-chlorophenothiazin-10-yl)propyl]-1-methyl-N-[3-(2-methylphenothiazin-10-yl)propyl]piperidin-4-amine?
The IUPAC name of N-[3-(2-chlorophenothiazin-10-yl)propyl]-1-methyl-N-[3-(2-methylphenothiazin-10-yl)propyl]piperidin-4-amine (CID 158500494) is N-[3-(2-chlorophenothiazin-10-yl)propyl]-1-methyl-N-[3-(2-methylphenothiazin-10-yl)propyl]piperidin-4-amine.
What is the SMILES notation for N-[3-(2-chlorophenothiazin-10-yl)propyl]-1-methyl-N-[3-(2-methylphenothiazin-10-yl)propyl]piperidin-4-amine?
The canonical SMILES for N-[3-(2-chlorophenothiazin-10-yl)propyl]-1-methyl-N-[3-(2-methylphenothiazin-10-yl)propyl]piperidin-4-amine is Cc1ccc2c(c1)N(CCCN(CCCN1c3ccccc3Sc3ccc(Cl)cc31)C1CCN(C)CC1)c1ccccc1S2.
What is the InChIKey of N-[3-(2-chlorophenothiazin-10-yl)propyl]-1-methyl-N-[3-(2-methylphenothiazin-10-yl)propyl]piperidin-4-amine?
The InChIKey is SUGPSWJWJOSUEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H41ClN4S2/c1-27-13-15-36-32(25-27)41(30-9-3-5-11-34(30)43-36)21-7-19-40(29-17-23-39(2)24-18-29)20-8-22-42-31-10-4-6-12-35(31)44-37-16-14-28(38)26-33(37)42/h3-6,9-16,25-26,29H,7-8,17-24H2,1-2H3.
What are the key properties of N-[3-(2-chlorophenothiazin-10-yl)propyl]-1-methyl-N-[3-(2-methylphenothiazin-10-yl)propyl]piperidin-4-amine?
N-[3-(2-chlorophenothiazin-10-yl)propyl]-1-methyl-N-[3-(2-methylphenothiazin-10-yl)propyl]piperidin-4-amine has a molecular weight of 641.35 g/mol, XLogP of 9.73, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-chlorophenothiazin-10-yl)propyl]-1-methyl-N-[3-(2-methylphenothiazin-10-yl)propyl]piperidin-4-amine is sourced from PubChem (CID 158500494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).