2-(2-methylbutylsulfanyl)pentan-3-amine

C10H23NS — CID 107763650

IUPAC2-(2-methylbutylsulfanyl)pentan-3-amine
SMILESCCC(C)CSC(C)C(N)CC
InChIInChI=1S/C10H23NS/c1-5-8(3)7-12-9(4)10(11)6-2/h8-10H,5-7,11H2,1-4H3
InChIKeyYADBDEJQTFIECD-UHFFFAOYSA-N
MW189.37 g/mol
LogP2.89
Rot. Bonds6

About 2-(2-methylbutylsulfanyl)pentan-3-amine

2-(2-methylbutylsulfanyl)pentan-3-amine (PubChem CID 107763650) has the molecular formula C10H23NS and a molecular weight of 189.37 g/mol. Its IUPAC name is 2-(2-methylbutylsulfanyl)pentan-3-amine.

Molecular Properties

Compound Name2-(2-methylbutylsulfanyl)pentan-3-amine
PubChem CID107763650
Molecular FormulaC10H23NS
Molecular Weight189.37 g/mol
Exact Mass189.16
IUPAC Name2-(2-methylbutylsulfanyl)pentan-3-amine
SMILESCCC(C)CSC(C)C(N)CC
InChIInChI=1S/C10H23NS/c1-5-8(3)7-12-9(4)10(11)6-2/h8-10H,5-7,11H2,1-4H3
InChIKeyYADBDEJQTFIECD-UHFFFAOYSA-N
XLogP2.89
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.37
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(2-methylbutylsulfanyl)pentan-3-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-propan-2-ylsulfanylpentan-3-amine
CID 64633850
1-(2-methylbutylsulfanyl)-1-(4-methylphenyl)butan-2-amine
CID 107748828
S-[(2R)-2-methylbutyl]thiohydroxylamine
CID 166670432
1-(2-methylbutylsulfanyl)propan-2-amine
CID 66217492
2-butan-2-ylsulfanylpentan-3-amine
CID 64613429
2-(cyclopentylmethylsulfanyl)pentan-3-amine
CID 64627210
2-(2-methylbutylsulfanyl)butanimidamide
CID 107750310
hexane-3,4-diamine
CID 12656175
4-methyl-1-propan-2-ylsulfanylhexan-2-amine
CID 65131873
N-ethyl-2-(2-methylbutylsulfanyl)propan-1-amine
CID 107757516
1-(2-methylbutylsulfanyl)-1-(5-methylfuran-2-yl)propan-2-amine
CID 107748951
1-butan-2-ylsulfanyl-3-methylbutan-2-amine
CID 65136124

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylbutylsulfanyl)pentan-3-amine?
The IUPAC name of 2-(2-methylbutylsulfanyl)pentan-3-amine (CID 107763650) is 2-(2-methylbutylsulfanyl)pentan-3-amine.
What is the SMILES notation for 2-(2-methylbutylsulfanyl)pentan-3-amine?
The canonical SMILES for 2-(2-methylbutylsulfanyl)pentan-3-amine is CCC(C)CSC(C)C(N)CC.
What is the InChIKey of 2-(2-methylbutylsulfanyl)pentan-3-amine?
The InChIKey is YADBDEJQTFIECD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NS/c1-5-8(3)7-12-9(4)10(11)6-2/h8-10H,5-7,11H2,1-4H3.
What are the key properties of 2-(2-methylbutylsulfanyl)pentan-3-amine?
2-(2-methylbutylsulfanyl)pentan-3-amine has a molecular weight of 189.37 g/mol, XLogP of 2.89, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylbutylsulfanyl)pentan-3-amine is sourced from PubChem (CID 107763650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).