2-methylsulfanyl-N-propylcyclododecan-1-amine

C16H33NS — CID 64628691

IUPAC2-methylsulfanyl-N-propylcyclododecan-1-amine
SMILESCCCNC1CCCCCCCCCCC1SC
InChIInChI=1S/C16H33NS/c1-3-14-17-15-12-10-8-6-4-5-7-9-11-13-16(15)18-2/h15-17H,3-14H2,1-2H3
InChIKeyRVXNCUIAEAEASS-UHFFFAOYSA-N
MW271.51 g/mol
LogP5.00
Rot. Bonds4

About 2-methylsulfanyl-N-propylcyclododecan-1-amine

2-methylsulfanyl-N-propylcyclododecan-1-amine (PubChem CID 64628691) has the molecular formula C16H33NS and a molecular weight of 271.51 g/mol. Its IUPAC name is 2-methylsulfanyl-N-propylcyclododecan-1-amine.

Molecular Properties

Compound Name2-methylsulfanyl-N-propylcyclododecan-1-amine
PubChem CID64628691
Molecular FormulaC16H33NS
Molecular Weight271.51 g/mol
Exact Mass271.23
IUPAC Name2-methylsulfanyl-N-propylcyclododecan-1-amine
SMILESCCCNC1CCCCCCCCCCC1SC
InChIInChI=1S/C16H33NS/c1-3-14-17-15-12-10-8-6-4-5-7-9-11-13-16(15)18-2/h15-17H,3-14H2,1-2H3
InChIKeyRVXNCUIAEAEASS-UHFFFAOYSA-N
XLogP5.00
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500271.51
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-methylsulfanyl-N-propylcyclododecan-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

2-cyclopentylsulfanyl-N-propylcyclooctan-1-amine
CID 64627611
N-(cyclohexylmethyl)-2-methylsulfanylcyclohexan-1-amine
CID 103775456
2-(2-methylpropylsulfanyl)-N-propylcyclohexan-1-amine
CID 64611531
2-methylsulfanyl-N-(2-methylsulfonylethyl)cyclohexan-1-amine
CID 115714483
N-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2-methylsulfanylcyclohexan-1-amine
CID 103931438
2-(2-methylbutylsulfanyl)-N-propylcycloheptan-1-amine
CID 107763648
N-(cyclopentylmethyl)-2-methylsulfanylcyclohexan-1-amine
CID 115712400
N-[2-(2-methoxyethoxy)ethyl]-2-methylsulfanylcyclohexan-1-amine
CID 115712458
2-(4-methoxyphenyl)sulfanyl-N-propylcycloheptan-1-amine
CID 64621896
N-(2,2-dimethylpropyl)-2-methylsulfanylcyclohexan-1-amine
CID 103779067
methyl 3-[2-(propylamino)cycloheptyl]sulfanylpropanoate
CID 64615405
2-methylsulfanyl-N-prop-2-enylcyclohexan-1-amine
CID 102613972

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-N-propylcyclododecan-1-amine?
The IUPAC name of 2-methylsulfanyl-N-propylcyclododecan-1-amine (CID 64628691) is 2-methylsulfanyl-N-propylcyclododecan-1-amine.
What is the SMILES notation for 2-methylsulfanyl-N-propylcyclododecan-1-amine?
The canonical SMILES for 2-methylsulfanyl-N-propylcyclododecan-1-amine is CCCNC1CCCCCCCCCCC1SC.
What is the InChIKey of 2-methylsulfanyl-N-propylcyclododecan-1-amine?
The InChIKey is RVXNCUIAEAEASS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NS/c1-3-14-17-15-12-10-8-6-4-5-7-9-11-13-16(15)18-2/h15-17H,3-14H2,1-2H3.
What are the key properties of 2-methylsulfanyl-N-propylcyclododecan-1-amine?
2-methylsulfanyl-N-propylcyclododecan-1-amine has a molecular weight of 271.51 g/mol, XLogP of 5.00, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-N-propylcyclododecan-1-amine is sourced from PubChem (CID 64628691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).