N-(1-methylsulfonylpiperidin-4-yl)-1-propan-2-ylazepan-4-amine

C15H31N3O2S — CID 65074446

IUPACN-(1-methylsulfonylpiperidin-4-yl)-1-propan-2-ylazepan-4-amine
SMILESCC(C)N1CCCC(NC2CCN(S(C)(=O)=O)CC2)CC1
InChIInChI=1S/C15H31N3O2S/c1-13(2)17-9-4-5-14(6-10-17)16-15-7-11-18(12-8-15)21(3,19)20/h13-16H,4-12H2,1-3H3
InChIKeyJKFKXMWSUJJXGM-UHFFFAOYSA-N
MW317.50 g/mol
LogP1.26
Rot. Bonds4

About N-(1-methylsulfonylpiperidin-4-yl)-1-propan-2-ylazepan-4-amine

N-(1-methylsulfonylpiperidin-4-yl)-1-propan-2-ylazepan-4-amine (PubChem CID 65074446) has the molecular formula C15H31N3O2S and a molecular weight of 317.50 g/mol. Its IUPAC name is N-(1-methylsulfonylpiperidin-4-yl)-1-propan-2-ylazepan-4-amine.

Molecular Properties

Compound NameN-(1-methylsulfonylpiperidin-4-yl)-1-propan-2-ylazepan-4-amine
PubChem CID65074446
Molecular FormulaC15H31N3O2S
Molecular Weight317.50 g/mol
Exact Mass317.21
IUPAC NameN-(1-methylsulfonylpiperidin-4-yl)-1-propan-2-ylazepan-4-amine
SMILESCC(C)N1CCCC(NC2CCN(S(C)(=O)=O)CC2)CC1
InChIInChI=1S/C15H31N3O2S/c1-13(2)17-9-4-5-14(6-10-17)16-15-7-11-18(12-8-15)21(3,19)20/h13-16H,4-12H2,1-3H3
InChIKeyJKFKXMWSUJJXGM-UHFFFAOYSA-N
XLogP1.26
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.50
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(1-methylsulfonylpiperidin-4-yl)-1-propan-2-ylazepan-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

9-methyl-N-(1-propan-2-ylazepan-4-yl)-9-azabicyclo[3.3.1]nonan-3-amine
CID 65470461
N-(3-methylcyclohexyl)-1-methylsulfonylpiperidin-4-amine
CID 43432065
3-[(1-methylsulfonylpiperidin-4-yl)amino]cyclohexan-1-ol
CID 113260472
cis-(1R,3S)-3-[(1-methylsulfonylpiperidin-4-yl)amino]cyclohexane-1-carbonitrile
CID 124624665
1-methylsulfonyl-N-[3-(trifluoromethyl)cyclohexyl]piperidin-4-amine
CID 64757172
1-[4-[(1-propan-2-ylpiperidin-4-yl)amino]piperidin-1-yl]ethanone
CID 43223565
N-(2-methylcyclopentyl)-1-methylsulfonylpiperidin-4-amine
CID 65044453
N-(2,2-dimethylcyclopentyl)-1-propan-2-ylazepan-4-amine
CID 79861390
1-propan-2-yl-N-(thietan-3-yl)piperidin-4-amine
CID 126987499
1-propan-2-yl-4-(sulfamoylamino)piperidine
CID 112684194
1-methylsulfonyl-N-(5-oxaspiro[3.5]nonan-8-yl)piperidin-4-amine
CID 79895699
3-methylsulfonyl-1-propan-2-ylpiperidine
CID 146319566

Frequently Asked Questions

What is the IUPAC name of N-(1-methylsulfonylpiperidin-4-yl)-1-propan-2-ylazepan-4-amine?
The IUPAC name of N-(1-methylsulfonylpiperidin-4-yl)-1-propan-2-ylazepan-4-amine (CID 65074446) is N-(1-methylsulfonylpiperidin-4-yl)-1-propan-2-ylazepan-4-amine.
What is the SMILES notation for N-(1-methylsulfonylpiperidin-4-yl)-1-propan-2-ylazepan-4-amine?
The canonical SMILES for N-(1-methylsulfonylpiperidin-4-yl)-1-propan-2-ylazepan-4-amine is CC(C)N1CCCC(NC2CCN(S(C)(=O)=O)CC2)CC1.
What is the InChIKey of N-(1-methylsulfonylpiperidin-4-yl)-1-propan-2-ylazepan-4-amine?
The InChIKey is JKFKXMWSUJJXGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O2S/c1-13(2)17-9-4-5-14(6-10-17)16-15-7-11-18(12-8-15)21(3,19)20/h13-16H,4-12H2,1-3H3.
What are the key properties of N-(1-methylsulfonylpiperidin-4-yl)-1-propan-2-ylazepan-4-amine?
N-(1-methylsulfonylpiperidin-4-yl)-1-propan-2-ylazepan-4-amine has a molecular weight of 317.50 g/mol, XLogP of 1.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylsulfonylpiperidin-4-yl)-1-propan-2-ylazepan-4-amine is sourced from PubChem (CID 65074446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).