(4S)-4-ethenylsulfanyl-3-methylpentan-1-amine

C8H17NS — CID 167189841

IUPAC(4S)-4-ethenylsulfanyl-3-methylpentan-1-amine
SMILESC=CS[C@@H](C)C(C)CCN
InChIInChI=1S/C8H17NS/c1-4-10-8(3)7(2)5-6-9/h4,7-8H,1,5-6,9H2,2-3H3/t7?,8-/m0/s1
InChIKeyNRIZIYPIJYBJHG-MQWKRIRWSA-N
MW159.30 g/mol
LogP2.24
Rot. Bonds5

About (4S)-4-ethenylsulfanyl-3-methylpentan-1-amine

(4S)-4-ethenylsulfanyl-3-methylpentan-1-amine (PubChem CID 167189841) has the molecular formula C8H17NS and a molecular weight of 159.30 g/mol. Its IUPAC name is (4S)-4-ethenylsulfanyl-3-methylpentan-1-amine.

Molecular Properties

Compound Name(4S)-4-ethenylsulfanyl-3-methylpentan-1-amine
PubChem CID167189841
Molecular FormulaC8H17NS
Molecular Weight159.30 g/mol
Exact Mass159.11
IUPAC Name(4S)-4-ethenylsulfanyl-3-methylpentan-1-amine
SMILESC=CS[C@@H](C)C(C)CCN
InChIInChI=1S/C8H17NS/c1-4-10-8(3)7(2)5-6-9/h4,7-8H,1,5-6,9H2,2-3H3/t7?,8-/m0/s1
InChIKeyNRIZIYPIJYBJHG-MQWKRIRWSA-N
XLogP2.24
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.30
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(Z)-4,7-diamino-5-methylhept-2-ene-3-thiol
CID 89154085
4-chloro-3-methylpentan-1-amine
CID 90302099
(2R,3S)-5-amino-2,3-dimethylpentan-1-ol
CID 174320236
3,4-dimethyldecane-1,10-diamine
CID 118234620
(3R)-3-ethylpent-4-en-1-amine
CID 122576147
(3R,4R)-6-amino-4-methylhexan-3-ol
CID 96637634
(3S)-3-methylsulfanylbutan-1-amine
CID 51892089
3-ethenylsulfanylpentane
CID 22770243
2-methylpropane;prop-2-en-1-amine
CID 161130166
4-ethyl-3-methylheptan-1-amine
CID 143231179
1-ethenylsulfanylethyl(diethyl)silane
CID 71363645
2-methyl-1-(2,3,4-trimethylphenyl)butane-1,4-diamine
CID 116934101

Frequently Asked Questions

What is the IUPAC name of (4S)-4-ethenylsulfanyl-3-methylpentan-1-amine?
The IUPAC name of (4S)-4-ethenylsulfanyl-3-methylpentan-1-amine (CID 167189841) is (4S)-4-ethenylsulfanyl-3-methylpentan-1-amine.
What is the SMILES notation for (4S)-4-ethenylsulfanyl-3-methylpentan-1-amine?
The canonical SMILES for (4S)-4-ethenylsulfanyl-3-methylpentan-1-amine is C=CS[C@@H](C)C(C)CCN.
What is the InChIKey of (4S)-4-ethenylsulfanyl-3-methylpentan-1-amine?
The InChIKey is NRIZIYPIJYBJHG-MQWKRIRWSA-N. The full InChI is InChI=1S/C8H17NS/c1-4-10-8(3)7(2)5-6-9/h4,7-8H,1,5-6,9H2,2-3H3/t7?,8-/m0/s1.
What are the key properties of (4S)-4-ethenylsulfanyl-3-methylpentan-1-amine?
(4S)-4-ethenylsulfanyl-3-methylpentan-1-amine has a molecular weight of 159.30 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-ethenylsulfanyl-3-methylpentan-1-amine is sourced from PubChem (CID 167189841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).