(1S)-1-(hexylamino)ethanethiol

C8H19NS — CID 142113099

IUPAC(1S)-1-(hexylamino)ethanethiol
SMILESCCCCCCN[C@H](C)S
InChIInChI=1S/C8H19NS/c1-3-4-5-6-7-9-8(2)10/h8-10H,3-7H2,1-2H3/t8-/m0/s1
InChIKeyAAUMJWPUOKWSAJ-QMMMGPOBSA-N
MW161.31 g/mol
LogP2.43
Rot. Bonds6

About (1S)-1-(hexylamino)ethanethiol

(1S)-1-(hexylamino)ethanethiol (PubChem CID 142113099) has the molecular formula C8H19NS and a molecular weight of 161.31 g/mol. Its IUPAC name is (1S)-1-(hexylamino)ethanethiol.

Molecular Properties

Compound Name(1S)-1-(hexylamino)ethanethiol
PubChem CID142113099
Molecular FormulaC8H19NS
Molecular Weight161.31 g/mol
Exact Mass161.12
IUPAC Name(1S)-1-(hexylamino)ethanethiol
SMILESCCCCCCN[C@H](C)S
InChIInChI=1S/C8H19NS/c1-3-4-5-6-7-9-8(2)10/h8-10H,3-7H2,1-2H3/t8-/m0/s1
InChIKeyAAUMJWPUOKWSAJ-QMMMGPOBSA-N
XLogP2.43
TPSA12.03 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.31
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

N-propan-2-ylicosan-1-amine
CID 87246132
1-(propylamino)ethanethiol
CID 23019004
N"-octylmethanetriamine
CID 139788026
N-propan-2-ylnonan-1-amine;hydrochloride
CID 172836169
N-butan-2-yldodecan-1-amine
CID 63489622
1-N'-nonylethane-1,1-diamine
CID 141374358
molecular hydrogen;N-propan-2-ylnonan-1-amine
CID 166461486
N-(3-methylbutan-2-yl)heptan-1-amine
CID 43131205
N-butan-2-ylundecan-1-amine
CID 151961423
fluoromethane;N-propan-2-ylhexan-1-amine
CID 171626710
2-(tetradecylamino)propane-1,1-diol
CID 174762987
N-heptan-2-ylheptan-1-amine
CID 43572726

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(hexylamino)ethanethiol?
The IUPAC name of (1S)-1-(hexylamino)ethanethiol (CID 142113099) is (1S)-1-(hexylamino)ethanethiol.
What is the SMILES notation for (1S)-1-(hexylamino)ethanethiol?
The canonical SMILES for (1S)-1-(hexylamino)ethanethiol is CCCCCCN[C@H](C)S.
What is the InChIKey of (1S)-1-(hexylamino)ethanethiol?
The InChIKey is AAUMJWPUOKWSAJ-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H19NS/c1-3-4-5-6-7-9-8(2)10/h8-10H,3-7H2,1-2H3/t8-/m0/s1.
What are the key properties of (1S)-1-(hexylamino)ethanethiol?
(1S)-1-(hexylamino)ethanethiol has a molecular weight of 161.31 g/mol, XLogP of 2.43, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(hexylamino)ethanethiol is sourced from PubChem (CID 142113099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).