2-tert-butylsulfinyl-3,5-dimethyl-N-propylcyclohexan-1-amine

C15H31NOS — CID 64734966

IUPAC2-tert-butylsulfinyl-3,5-dimethyl-N-propylcyclohexan-1-amine
SMILESCCCNC1CC(C)CC(C)C1S(=O)C(C)(C)C
InChIInChI=1S/C15H31NOS/c1-7-8-16-13-10-11(2)9-12(3)14(13)18(17)15(4,5)6/h11-14,16H,7-10H2,1-6H3
InChIKeyQSSDWVOVFAZPNF-UHFFFAOYSA-N
MW273.49 g/mol
LogP3.34
Rot. Bonds4

About 2-tert-butylsulfinyl-3,5-dimethyl-N-propylcyclohexan-1-amine

2-tert-butylsulfinyl-3,5-dimethyl-N-propylcyclohexan-1-amine (PubChem CID 64734966) has the molecular formula C15H31NOS and a molecular weight of 273.49 g/mol. Its IUPAC name is 2-tert-butylsulfinyl-3,5-dimethyl-N-propylcyclohexan-1-amine.

Molecular Properties

Compound Name2-tert-butylsulfinyl-3,5-dimethyl-N-propylcyclohexan-1-amine
PubChem CID64734966
Molecular FormulaC15H31NOS
Molecular Weight273.49 g/mol
Exact Mass273.21
IUPAC Name2-tert-butylsulfinyl-3,5-dimethyl-N-propylcyclohexan-1-amine
SMILESCCCNC1CC(C)CC(C)C1S(=O)C(C)(C)C
InChIInChI=1S/C15H31NOS/c1-7-8-16-13-10-11(2)9-12(3)14(13)18(17)15(4,5)6/h11-14,16H,7-10H2,1-6H3
InChIKeyQSSDWVOVFAZPNF-UHFFFAOYSA-N
XLogP3.34
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.49
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-tert-butylsulfinyl-3,5-dimethyl-N-propylcyclohexan-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

Frequently Asked Questions

What is the IUPAC name of 2-tert-butylsulfinyl-3,5-dimethyl-N-propylcyclohexan-1-amine?
The IUPAC name of 2-tert-butylsulfinyl-3,5-dimethyl-N-propylcyclohexan-1-amine (CID 64734966) is 2-tert-butylsulfinyl-3,5-dimethyl-N-propylcyclohexan-1-amine.
What is the SMILES notation for 2-tert-butylsulfinyl-3,5-dimethyl-N-propylcyclohexan-1-amine?
The canonical SMILES for 2-tert-butylsulfinyl-3,5-dimethyl-N-propylcyclohexan-1-amine is CCCNC1CC(C)CC(C)C1S(=O)C(C)(C)C.
What is the InChIKey of 2-tert-butylsulfinyl-3,5-dimethyl-N-propylcyclohexan-1-amine?
The InChIKey is QSSDWVOVFAZPNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NOS/c1-7-8-16-13-10-11(2)9-12(3)14(13)18(17)15(4,5)6/h11-14,16H,7-10H2,1-6H3.
What are the key properties of 2-tert-butylsulfinyl-3,5-dimethyl-N-propylcyclohexan-1-amine?
2-tert-butylsulfinyl-3,5-dimethyl-N-propylcyclohexan-1-amine has a molecular weight of 273.49 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butylsulfinyl-3,5-dimethyl-N-propylcyclohexan-1-amine is sourced from PubChem (CID 64734966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).