[2-methylsulfonyl-1-(3,3,4-trimethylpiperazin-1-yl)cyclopentyl]methanamine

C14H29N3O2S — CID 65045007

IUPAC[2-methylsulfonyl-1-(3,3,4-trimethylpiperazin-1-yl)cyclopentyl]methanamine
SMILESCN1CCN(C2(CN)CCCC2S(C)(=O)=O)CC1(C)C
InChIInChI=1S/C14H29N3O2S/c1-13(2)11-17(9-8-16(13)3)14(10-15)7-5-6-12(14)20(4,18)19/h12H,5-11,15H2,1-4H3
InChIKeyJCBMARXINNRXFF-UHFFFAOYSA-N
MW303.47 g/mol
LogP0.31
Rot. Bonds3

About [2-methylsulfonyl-1-(3,3,4-trimethylpiperazin-1-yl)cyclopentyl]methanamine

[2-methylsulfonyl-1-(3,3,4-trimethylpiperazin-1-yl)cyclopentyl]methanamine (PubChem CID 65045007) has the molecular formula C14H29N3O2S and a molecular weight of 303.47 g/mol. Its IUPAC name is [2-methylsulfonyl-1-(3,3,4-trimethylpiperazin-1-yl)cyclopentyl]methanamine.

Molecular Properties

Compound Name[2-methylsulfonyl-1-(3,3,4-trimethylpiperazin-1-yl)cyclopentyl]methanamine
PubChem CID65045007
Molecular FormulaC14H29N3O2S
Molecular Weight303.47 g/mol
Exact Mass303.20
IUPAC Name[2-methylsulfonyl-1-(3,3,4-trimethylpiperazin-1-yl)cyclopentyl]methanamine
SMILESCN1CCN(C2(CN)CCCC2S(C)(=O)=O)CC1(C)C
InChIInChI=1S/C14H29N3O2S/c1-13(2)11-17(9-8-16(13)3)14(10-15)7-5-6-12(14)20(4,18)19/h12H,5-11,15H2,1-4H3
InChIKeyJCBMARXINNRXFF-UHFFFAOYSA-N
XLogP0.31
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.47
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-methylsulfonyl-1-(3,3,4-trimethylpiperazin-1-yl)cyclopentyl]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

[1-(3,4-dimethylpiperazin-1-yl)-2-methylsulfonylcyclopentyl]methanamine
CID 65044902
[1-(3,4-dimethylpyrrolidin-1-yl)-2-methylsulfonylcyclopentyl]methanamine
CID 79188215
[1-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-2-methylsulfonylcyclopentyl]methanamine
CID 65045721
[1-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-methylsulfonylcyclopentyl]methanamine
CID 79917984
[1-(2,6-dimethylthiomorpholin-4-yl)-2-methylsulfonylcyclopentyl]methanamine
CID 65044750
[1-(2-ethylpyrrolidin-1-yl)-2-methylsulfonylcyclopentyl]methanamine
CID 65045929
[1-(2-cyclopentylpyrrolidin-1-yl)-2-methylsulfonylcyclopentyl]methanamine
CID 65045419
1-(aminomethyl)-2-methylsulfonylcyclopentan-1-amine
CID 65045771
N-[1-(aminomethyl)-2-methylsulfonylcyclopentyl]-N-methylcycloheptanamine
CID 65045669
1-(aminomethyl)-N-methyl-2-methylsulfonyl-N-propan-2-ylcyclopentan-1-amine
CID 65045921
1-(aminomethyl)-N-(cyclopropylmethyl)-N-ethyl-2-methylsulfonylcyclopentan-1-amine
CID 65045428
1-(2-aminoethyl)-2-methylsulfonylcyclopentan-1-ol
CID 79125934

Frequently Asked Questions

What is the IUPAC name of [2-methylsulfonyl-1-(3,3,4-trimethylpiperazin-1-yl)cyclopentyl]methanamine?
The IUPAC name of [2-methylsulfonyl-1-(3,3,4-trimethylpiperazin-1-yl)cyclopentyl]methanamine (CID 65045007) is [2-methylsulfonyl-1-(3,3,4-trimethylpiperazin-1-yl)cyclopentyl]methanamine.
What is the SMILES notation for [2-methylsulfonyl-1-(3,3,4-trimethylpiperazin-1-yl)cyclopentyl]methanamine?
The canonical SMILES for [2-methylsulfonyl-1-(3,3,4-trimethylpiperazin-1-yl)cyclopentyl]methanamine is CN1CCN(C2(CN)CCCC2S(C)(=O)=O)CC1(C)C.
What is the InChIKey of [2-methylsulfonyl-1-(3,3,4-trimethylpiperazin-1-yl)cyclopentyl]methanamine?
The InChIKey is JCBMARXINNRXFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O2S/c1-13(2)11-17(9-8-16(13)3)14(10-15)7-5-6-12(14)20(4,18)19/h12H,5-11,15H2,1-4H3.
What are the key properties of [2-methylsulfonyl-1-(3,3,4-trimethylpiperazin-1-yl)cyclopentyl]methanamine?
[2-methylsulfonyl-1-(3,3,4-trimethylpiperazin-1-yl)cyclopentyl]methanamine has a molecular weight of 303.47 g/mol, XLogP of 0.31, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methylsulfonyl-1-(3,3,4-trimethylpiperazin-1-yl)cyclopentyl]methanamine is sourced from PubChem (CID 65045007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).