N-(trimethyl-λ4-sulfanyl)cyclohexanamine

C9H21NS — CID 130404201

IUPACN-(trimethyl-λ4-sulfanyl)cyclohexanamine
SMILESCS(C)(C)NC1CCCCC1
InChIInChI=1S/C9H21NS/c1-11(2,3)10-9-7-5-4-6-8-9/h9-10H,4-8H2,1-3H3
InChIKeyOJTUUVWKSFHNKT-UHFFFAOYSA-N
MW175.34 g/mol
LogP2.52
Rot. Bonds2

About N-(trimethyl-λ4-sulfanyl)cyclohexanamine

N-(trimethyl-λ4-sulfanyl)cyclohexanamine (PubChem CID 130404201) has the molecular formula C9H21NS and a molecular weight of 175.34 g/mol. Its IUPAC name is N-(trimethyl-λ4-sulfanyl)cyclohexanamine.

Molecular Properties

Compound NameN-(trimethyl-λ4-sulfanyl)cyclohexanamine
PubChem CID130404201
Molecular FormulaC9H21NS
Molecular Weight175.34 g/mol
Exact Mass175.14
IUPAC NameN-(trimethyl-λ4-sulfanyl)cyclohexanamine
SMILESCS(C)(C)NC1CCCCC1
InChIInChI=1S/C9H21NS/c1-11(2,3)10-9-7-5-4-6-8-9/h9-10H,4-8H2,1-3H3
InChIKeyOJTUUVWKSFHNKT-UHFFFAOYSA-N
XLogP2.52
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.34
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(trimethyl-λ4-sulfanyl)cyclohexanamine?
The IUPAC name of N-(trimethyl-λ4-sulfanyl)cyclohexanamine (CID 130404201) is N-(trimethyl-λ4-sulfanyl)cyclohexanamine.
What is the SMILES notation for N-(trimethyl-λ4-sulfanyl)cyclohexanamine?
The canonical SMILES for N-(trimethyl-λ4-sulfanyl)cyclohexanamine is CS(C)(C)NC1CCCCC1.
What is the InChIKey of N-(trimethyl-λ4-sulfanyl)cyclohexanamine?
The InChIKey is OJTUUVWKSFHNKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NS/c1-11(2,3)10-9-7-5-4-6-8-9/h9-10H,4-8H2,1-3H3.
What are the key properties of N-(trimethyl-λ4-sulfanyl)cyclohexanamine?
N-(trimethyl-λ4-sulfanyl)cyclohexanamine has a molecular weight of 175.34 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(trimethyl-λ4-sulfanyl)cyclohexanamine is sourced from PubChem (CID 130404201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).