3-methyl-3-[(1-methylsulfonylpiperidin-3-yl)methyl]-N-propylcyclopentan-1-amine

C16H32N2O2S — CID 116539806

IUPAC3-methyl-3-[(1-methylsulfonylpiperidin-3-yl)methyl]-N-propylcyclopentan-1-amine
SMILESCCCNC1CCC(C)(CC2CCCN(S(C)(=O)=O)C2)C1
InChIInChI=1S/C16H32N2O2S/c1-4-9-17-15-7-8-16(2,12-15)11-14-6-5-10-18(13-14)21(3,19)20/h14-15,17H,4-13H2,1-3H3
InChIKeyBXEQQUYDCWIGQU-UHFFFAOYSA-N
MW316.51 g/mol
LogP2.61
Rot. Bonds6

About 3-methyl-3-[(1-methylsulfonylpiperidin-3-yl)methyl]-N-propylcyclopentan-1-amine

3-methyl-3-[(1-methylsulfonylpiperidin-3-yl)methyl]-N-propylcyclopentan-1-amine (PubChem CID 116539806) has the molecular formula C16H32N2O2S and a molecular weight of 316.51 g/mol. Its IUPAC name is 3-methyl-3-[(1-methylsulfonylpiperidin-3-yl)methyl]-N-propylcyclopentan-1-amine.

Molecular Properties

Compound Name3-methyl-3-[(1-methylsulfonylpiperidin-3-yl)methyl]-N-propylcyclopentan-1-amine
PubChem CID116539806
Molecular FormulaC16H32N2O2S
Molecular Weight316.51 g/mol
Exact Mass316.22
IUPAC Name3-methyl-3-[(1-methylsulfonylpiperidin-3-yl)methyl]-N-propylcyclopentan-1-amine
SMILESCCCNC1CCC(C)(CC2CCCN(S(C)(=O)=O)C2)C1
InChIInChI=1S/C16H32N2O2S/c1-4-9-17-15-7-8-16(2,12-15)11-14-6-5-10-18(13-14)21(3,19)20/h14-15,17H,4-13H2,1-3H3
InChIKeyBXEQQUYDCWIGQU-UHFFFAOYSA-N
XLogP2.61
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.51
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-methyl-3-[(1-methylsulfonylpiperidin-3-yl)methyl]-N-propylcyclopentan-1-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

4-(ethylamino)-1-[(1-methylsulfonylpiperidin-3-yl)methyl]cyclohexan-1-ol
CID 79620255
N-[(1-methylsulfonylpiperidin-3-yl)methyl]propan-1-amine
CID 63878581
N-[2-(1-methylsulfonylpiperidin-3-yl)ethyl]cyclopropanamine
CID 79612688
2-[(1-methylsulfonylpiperidin-3-yl)methyl]-N-propylcyclohexan-1-amine
CID 79610709
2-[(1-methylsulfonylpiperidin-3-yl)methyl]-2-propylazepane
CID 79619580
3-methyl-3-(3-methylsulfonylpropyl)-N-propylcyclopentan-1-amine
CID 116539636
2,2-dimethyl-N-[(1-methylsulfonylpiperidin-3-yl)methyl]oxan-4-amine
CID 83033412
3-[[1-(chloromethyl)cyclopropyl]methyl]-1-methylsulfonylpiperidine
CID 79622239
1-[(1-methylsulfonylpiperidin-3-yl)methyl]cyclohexan-1-ol
CID 79610971
3-fluoro-3-[(1-methylsulfonylpiperidin-3-yl)methyl]cyclobutan-1-amine
CID 112563941
N-methyl-1-[1-[(1-methylsulfonylpiperidin-3-yl)methyl]cyclohexyl]methanamine
CID 79622813
4-hydroxy-4-[(1-methylsulfonylpiperidin-3-yl)methyl]cyclohexan-1-one
CID 79610502

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-[(1-methylsulfonylpiperidin-3-yl)methyl]-N-propylcyclopentan-1-amine?
The IUPAC name of 3-methyl-3-[(1-methylsulfonylpiperidin-3-yl)methyl]-N-propylcyclopentan-1-amine (CID 116539806) is 3-methyl-3-[(1-methylsulfonylpiperidin-3-yl)methyl]-N-propylcyclopentan-1-amine.
What is the SMILES notation for 3-methyl-3-[(1-methylsulfonylpiperidin-3-yl)methyl]-N-propylcyclopentan-1-amine?
The canonical SMILES for 3-methyl-3-[(1-methylsulfonylpiperidin-3-yl)methyl]-N-propylcyclopentan-1-amine is CCCNC1CCC(C)(CC2CCCN(S(C)(=O)=O)C2)C1.
What is the InChIKey of 3-methyl-3-[(1-methylsulfonylpiperidin-3-yl)methyl]-N-propylcyclopentan-1-amine?
The InChIKey is BXEQQUYDCWIGQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O2S/c1-4-9-17-15-7-8-16(2,12-15)11-14-6-5-10-18(13-14)21(3,19)20/h14-15,17H,4-13H2,1-3H3.
What are the key properties of 3-methyl-3-[(1-methylsulfonylpiperidin-3-yl)methyl]-N-propylcyclopentan-1-amine?
3-methyl-3-[(1-methylsulfonylpiperidin-3-yl)methyl]-N-propylcyclopentan-1-amine has a molecular weight of 316.51 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-[(1-methylsulfonylpiperidin-3-yl)methyl]-N-propylcyclopentan-1-amine is sourced from PubChem (CID 116539806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).