2-cyclopropyl-N,2-dimethyl-4-phenylsulfanylbutan-1-amine

C15H23NS — CID 83148119

IUPAC2-cyclopropyl-N,2-dimethyl-4-phenylsulfanylbutan-1-amine
SMILESCNCC(C)(CCSc1ccccc1)C1CC1
InChIInChI=1S/C15H23NS/c1-15(12-16-2,13-8-9-13)10-11-17-14-6-4-3-5-7-14/h3-7,13,16H,8-12H2,1-2H3
InChIKeyIXUDBRFZEGZSDT-UHFFFAOYSA-N
MW249.42 g/mol
LogP3.80
Rot. Bonds7

About 2-cyclopropyl-N,2-dimethyl-4-phenylsulfanylbutan-1-amine

2-cyclopropyl-N,2-dimethyl-4-phenylsulfanylbutan-1-amine (PubChem CID 83148119) has the molecular formula C15H23NS and a molecular weight of 249.42 g/mol. Its IUPAC name is 2-cyclopropyl-N,2-dimethyl-4-phenylsulfanylbutan-1-amine.

Molecular Properties

Compound Name2-cyclopropyl-N,2-dimethyl-4-phenylsulfanylbutan-1-amine
PubChem CID83148119
Molecular FormulaC15H23NS
Molecular Weight249.42 g/mol
Exact Mass249.16
IUPAC Name2-cyclopropyl-N,2-dimethyl-4-phenylsulfanylbutan-1-amine
SMILESCNCC(C)(CCSc1ccccc1)C1CC1
InChIInChI=1S/C15H23NS/c1-15(12-16-2,13-8-9-13)10-11-17-14-6-4-3-5-7-14/h3-7,13,16H,8-12H2,1-2H3
InChIKeyIXUDBRFZEGZSDT-UHFFFAOYSA-N
XLogP3.80
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.42
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-cyclopropyl-N,2-dimethyl-4-phenylsulfanylbutan-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-methyl-4-phenylsulfanylbutan-2-amine
CID 10584022
2,2-dimethyl-4-phenylsulfanyl-N-propan-2-ylbutan-1-amine
CID 79228773
N-tert-butyl-2-cyclopropyl-2-methyl-4-phenoxybutan-1-amine
CID 83159980
3-methyl-1-phenylsulfanylhexan-3-amine
CID 79223944
N-tert-butyl-3,3-dimethyl-5-phenylsulfanylpentan-1-amine
CID 81023439
N,2,2-triethyl-4-phenylsulfanylbutan-1-amine
CID 79228377
N-(2-methyl-4-phenylsulfanylbutan-2-yl)acetamide
CID 10633640
2,2-dimethyl-4-phenylsulfanylbutanamide
CID 142130509
N-(2-cyclopropyl-2-methyl-5-phenylpentyl)cyclopropanamine
CID 83160152
N-[3,3-dimethyl-2-(2-phenylsulfanylethyl)butyl]cyclopropanamine
CID 83139827
2,2-diethyl-4-phenylsulfanyl-N-propylbutan-1-amine
CID 79228599
2,2-diethyl-4-phenylsulfanyl-N-propan-2-ylbutan-1-amine
CID 79228777

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N,2-dimethyl-4-phenylsulfanylbutan-1-amine?
The IUPAC name of 2-cyclopropyl-N,2-dimethyl-4-phenylsulfanylbutan-1-amine (CID 83148119) is 2-cyclopropyl-N,2-dimethyl-4-phenylsulfanylbutan-1-amine.
What is the SMILES notation for 2-cyclopropyl-N,2-dimethyl-4-phenylsulfanylbutan-1-amine?
The canonical SMILES for 2-cyclopropyl-N,2-dimethyl-4-phenylsulfanylbutan-1-amine is CNCC(C)(CCSc1ccccc1)C1CC1.
What is the InChIKey of 2-cyclopropyl-N,2-dimethyl-4-phenylsulfanylbutan-1-amine?
The InChIKey is IXUDBRFZEGZSDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NS/c1-15(12-16-2,13-8-9-13)10-11-17-14-6-4-3-5-7-14/h3-7,13,16H,8-12H2,1-2H3.
What are the key properties of 2-cyclopropyl-N,2-dimethyl-4-phenylsulfanylbutan-1-amine?
2-cyclopropyl-N,2-dimethyl-4-phenylsulfanylbutan-1-amine has a molecular weight of 249.42 g/mol, XLogP of 3.80, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N,2-dimethyl-4-phenylsulfanylbutan-1-amine is sourced from PubChem (CID 83148119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).