N-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]cyclohexanesulfonamide

C15H31N3O2S — CID 56806855

IUPACN-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]cyclohexanesulfonamide
SMILESCN1CCN(CCCN(C)S(=O)(=O)C2CCCCC2)CC1
InChIInChI=1S/C15H31N3O2S/c1-16-11-13-18(14-12-16)10-6-9-17(2)21(19,20)15-7-4-3-5-8-15/h15H,3-14H2,1-2H3
InChIKeyHBPNUJJFNGHQPT-UHFFFAOYSA-N
MW317.50 g/mol
LogP1.22
Rot. Bonds6

About N-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]cyclohexanesulfonamide

N-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]cyclohexanesulfonamide (PubChem CID 56806855) has the molecular formula C15H31N3O2S and a molecular weight of 317.50 g/mol. Its IUPAC name is N-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]cyclohexanesulfonamide.

Molecular Properties

Compound NameN-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]cyclohexanesulfonamide
PubChem CID56806855
Molecular FormulaC15H31N3O2S
Molecular Weight317.50 g/mol
Exact Mass317.21
IUPAC NameN-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]cyclohexanesulfonamide
SMILESCN1CCN(CCCN(C)S(=O)(=O)C2CCCCC2)CC1
InChIInChI=1S/C15H31N3O2S/c1-16-11-13-18(14-12-16)10-6-9-17(2)21(19,20)15-7-4-3-5-8-15/h15H,3-14H2,1-2H3
InChIKeyHBPNUJJFNGHQPT-UHFFFAOYSA-N
XLogP1.22
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.50
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Cambridge id 6502799
CID 1529500
1-Ethylsulfonyl-4-pentan-3-ylpiperazine
CID 777525
N,3-dimethyl-N-[3-(4-methylpiperazin-1-yl)propyl]butane-1-sulfonamide
CID 56806273
1-(Butan-2-yl)-4-(ethylsulfonyl)piperazine
CID 2901815
1-Cyclohexyl-4-(propylsulfonyl)piperazine
CID 740733
1-(Butylsulfonyl)-4-cyclohexylpiperazine
CID 2225128
1-Butylsulfonyl-4-methylpiperazine
CID 19682546
1-Butylsulfonyl-4-ethylpiperazine
CID 19682858
1-Ethylsulfonyl-4-propylpiperazine
CID 22772808
1-Methyl-4-propylsulfonylpiperazine
CID 52228119
1-Ethyl-4-propylsulfonylpiperazine
CID 52448209
(2S)-4-ethylsulfonyl-1,2-dimethylpiperazine
CID 57662340

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]cyclohexanesulfonamide?
The IUPAC name of N-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]cyclohexanesulfonamide (CID 56806855) is N-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]cyclohexanesulfonamide.
What is the SMILES notation for N-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]cyclohexanesulfonamide?
The canonical SMILES for N-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]cyclohexanesulfonamide is CN1CCN(CCCN(C)S(=O)(=O)C2CCCCC2)CC1.
What is the InChIKey of N-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]cyclohexanesulfonamide?
The InChIKey is HBPNUJJFNGHQPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O2S/c1-16-11-13-18(14-12-16)10-6-9-17(2)21(19,20)15-7-4-3-5-8-15/h15H,3-14H2,1-2H3.
What are the key properties of N-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]cyclohexanesulfonamide?
N-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]cyclohexanesulfonamide has a molecular weight of 317.50 g/mol, XLogP of 1.22, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]cyclohexanesulfonamide is sourced from PubChem (CID 56806855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).