N-methyl-1-[1-(4-propoxyphenyl)sulfonylpiperidin-4-yl]methanamine

C16H26N2O3S — CID 119978174

IUPACN-methyl-1-[1-(4-propoxyphenyl)sulfonylpiperidin-4-yl]methanamine
SMILESCCCOc1ccc(S(=O)(=O)N2CCC(CNC)CC2)cc1
InChIInChI=1S/C16H26N2O3S/c1-3-12-21-15-4-6-16(7-5-15)22(19,20)18-10-8-14(9-11-18)13-17-2/h4-7,14,17H,3,8-13H2,1-2H3
InChIKeyUUDSXZLBZBNTEZ-UHFFFAOYSA-N
MW326.46 g/mol
LogP2.10
Rot. Bonds7

About N-methyl-1-[1-(4-propoxyphenyl)sulfonylpiperidin-4-yl]methanamine

N-methyl-1-[1-(4-propoxyphenyl)sulfonylpiperidin-4-yl]methanamine (PubChem CID 119978174) has the molecular formula C16H26N2O3S and a molecular weight of 326.46 g/mol. Its IUPAC name is N-methyl-1-[1-(4-propoxyphenyl)sulfonylpiperidin-4-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[1-(4-propoxyphenyl)sulfonylpiperidin-4-yl]methanamine
PubChem CID119978174
Molecular FormulaC16H26N2O3S
Molecular Weight326.46 g/mol
Exact Mass326.17
IUPAC NameN-methyl-1-[1-(4-propoxyphenyl)sulfonylpiperidin-4-yl]methanamine
SMILESCCCOc1ccc(S(=O)(=O)N2CCC(CNC)CC2)cc1
InChIInChI=1S/C16H26N2O3S/c1-3-12-21-15-4-6-16(7-5-15)22(19,20)18-10-8-14(9-11-18)13-17-2/h4-7,14,17H,3,8-13H2,1-2H3
InChIKeyUUDSXZLBZBNTEZ-UHFFFAOYSA-N
XLogP2.10
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.46
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-methyl-1-[1-(4-propoxyphenyl)sulfonylpiperidin-4-yl]methanamine 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

N-methyl-1-[1-(4-propoxyphenyl)sulfonylpyrrolidin-3-yl]methanamine
CID 63264368
1-[1-[4-(2-methoxyethoxy)phenyl]sulfonylpiperidin-4-yl]-N-methylmethanamine;hydrochloride
CID 119978169
1-(4-propoxyphenyl)sulfonylpiperidin-4-amine;hydrochloride
CID 119959067
N-methyl-1-[1-[4-(2-methylpropoxy)phenyl]sulfonylpiperidin-4-yl]methanamine;hydrochloride
CID 119978171
1-(4-propoxyphenyl)sulfonylpyrrolidine
CID 60755176
[1-(4-propoxyphenyl)sulfonylpyrrolidin-3-yl]methanol
CID 62371705
[1-(4-propoxyphenyl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride
CID 119971933
1-(4-propoxyphenyl)sulfonylpyrrolidin-3-ol
CID 62917470
1-(4-pentoxyphenyl)sulfonylpiperidin-4-amine
CID 119959192
N-(cyclopropylmethyl)-1-(4-pentoxyphenyl)sulfonylpiperidin-4-amine;hydrochloride
CID 119987701
1-[4-(2-ethoxyethoxy)phenyl]sulfonyl-N-methylpiperidin-4-amine
CID 119980269
3,3-dimethyl-1-(4-propoxyphenyl)sulfonylpiperidin-4-amine
CID 120779463

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-(4-propoxyphenyl)sulfonylpiperidin-4-yl]methanamine?
The IUPAC name of N-methyl-1-[1-(4-propoxyphenyl)sulfonylpiperidin-4-yl]methanamine (CID 119978174) is N-methyl-1-[1-(4-propoxyphenyl)sulfonylpiperidin-4-yl]methanamine.
What is the SMILES notation for N-methyl-1-[1-(4-propoxyphenyl)sulfonylpiperidin-4-yl]methanamine?
The canonical SMILES for N-methyl-1-[1-(4-propoxyphenyl)sulfonylpiperidin-4-yl]methanamine is CCCOc1ccc(S(=O)(=O)N2CCC(CNC)CC2)cc1.
What is the InChIKey of N-methyl-1-[1-(4-propoxyphenyl)sulfonylpiperidin-4-yl]methanamine?
The InChIKey is UUDSXZLBZBNTEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3S/c1-3-12-21-15-4-6-16(7-5-15)22(19,20)18-10-8-14(9-11-18)13-17-2/h4-7,14,17H,3,8-13H2,1-2H3.
What are the key properties of N-methyl-1-[1-(4-propoxyphenyl)sulfonylpiperidin-4-yl]methanamine?
N-methyl-1-[1-(4-propoxyphenyl)sulfonylpiperidin-4-yl]methanamine has a molecular weight of 326.46 g/mol, XLogP of 2.10, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-(4-propoxyphenyl)sulfonylpiperidin-4-yl]methanamine is sourced from PubChem (CID 119978174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).