4-(aminomethyl)-N-cyclopentylthian-4-amine

C11H22N2S — CID 65383521

IUPAC4-(aminomethyl)-N-cyclopentylthian-4-amine
SMILESNCC1(NC2CCCC2)CCSCC1
InChIInChI=1S/C11H22N2S/c12-9-11(5-7-14-8-6-11)13-10-3-1-2-4-10/h10,13H,1-9,12H2
InChIKeySCJSDEVTGCICGC-UHFFFAOYSA-N
MW214.38 g/mol
LogP1.74
Rot. Bonds3

About 4-(aminomethyl)-N-cyclopentylthian-4-amine

4-(aminomethyl)-N-cyclopentylthian-4-amine (PubChem CID 65383521) has the molecular formula C11H22N2S and a molecular weight of 214.38 g/mol. Its IUPAC name is 4-(aminomethyl)-N-cyclopentylthian-4-amine.

Molecular Properties

Compound Name4-(aminomethyl)-N-cyclopentylthian-4-amine
PubChem CID65383521
Molecular FormulaC11H22N2S
Molecular Weight214.38 g/mol
Exact Mass214.15
IUPAC Name4-(aminomethyl)-N-cyclopentylthian-4-amine
SMILESNCC1(NC2CCCC2)CCSCC1
InChIInChI=1S/C11H22N2S/c12-9-11(5-7-14-8-6-11)13-10-3-1-2-4-10/h10,13H,1-9,12H2
InChIKeySCJSDEVTGCICGC-UHFFFAOYSA-N
XLogP1.74
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.38
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-(aminomethyl)-N-cyclopentylthian-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

8-(aminomethyl)-N-cyclohexylspiro[4.5]decan-8-amine
CID 114818178
N-[1-(aminomethyl)-4-ethylcyclohexyl]cycloheptanamine
CID 65379539
1-(aminomethyl)-N-cyclopentyl-4-(trifluoromethyl)cyclohexan-1-amine
CID 65386069
[3-(cycloheptylamino)thiolan-3-yl]methanol
CID 61055550
N-[1-(aminomethyl)-4-tert-butylcyclohexyl]cycloheptanamine
CID 65379738
N-[1-(aminomethyl)-3,3-dimethylcyclobutyl]cyclopentanamine
CID 130847292
N-[1-(aminomethyl)-4-propylcyclohexyl]cycloheptanamine
CID 65382362
1-(aminomethyl)-N-cyclopentyl-3,3-dimethylcyclopentan-1-amine
CID 80706363
1-(aminomethyl)-N-cycloheptyl-4-ethylcycloheptan-1-amine
CID 65379731
3-(aminomethyl)-N-cyclohexyloxolan-3-amine
CID 65385376
3-(aminomethyl)-N-cyclohexylpiperidin-3-amine
CID 105465481
4-(aminomethyl)-N-cyclopentyl-1-methylpiperidin-4-amine;oxalic acid
CID 71756459

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-cyclopentylthian-4-amine?
The IUPAC name of 4-(aminomethyl)-N-cyclopentylthian-4-amine (CID 65383521) is 4-(aminomethyl)-N-cyclopentylthian-4-amine.
What is the SMILES notation for 4-(aminomethyl)-N-cyclopentylthian-4-amine?
The canonical SMILES for 4-(aminomethyl)-N-cyclopentylthian-4-amine is NCC1(NC2CCCC2)CCSCC1.
What is the InChIKey of 4-(aminomethyl)-N-cyclopentylthian-4-amine?
The InChIKey is SCJSDEVTGCICGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2S/c12-9-11(5-7-14-8-6-11)13-10-3-1-2-4-10/h10,13H,1-9,12H2.
What are the key properties of 4-(aminomethyl)-N-cyclopentylthian-4-amine?
4-(aminomethyl)-N-cyclopentylthian-4-amine has a molecular weight of 214.38 g/mol, XLogP of 1.74, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-cyclopentylthian-4-amine is sourced from PubChem (CID 65383521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).