3-(ethylamino)pentane-2-thiol

C7H17NS — CID 55286178

IUPAC3-(ethylamino)pentane-2-thiol
SMILESCCNC(CC)C(C)S
InChIInChI=1S/C7H17NS/c1-4-7(6(3)9)8-5-2/h6-9H,4-5H2,1-3H3
InChIKeyTYEWYTQUIDTMLQ-UHFFFAOYSA-N
MW147.29 g/mol
LogP1.69
Rot. Bonds4

About 3-(ethylamino)pentane-2-thiol

3-(ethylamino)pentane-2-thiol (PubChem CID 55286178) has the molecular formula C7H17NS and a molecular weight of 147.29 g/mol. Its IUPAC name is 3-(ethylamino)pentane-2-thiol.

Molecular Properties

Compound Name3-(ethylamino)pentane-2-thiol
PubChem CID55286178
Molecular FormulaC7H17NS
Molecular Weight147.29 g/mol
Exact Mass147.11
IUPAC Name3-(ethylamino)pentane-2-thiol
SMILESCCNC(CC)C(C)S
InChIInChI=1S/C7H17NS/c1-4-7(6(3)9)8-5-2/h6-9H,4-5H2,1-3H3
InChIKeyTYEWYTQUIDTMLQ-UHFFFAOYSA-N
XLogP1.69
TPSA12.03 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.29
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-2-(3-methylbutan-2-ylsulfonyl)pentan-3-amine
CID 107759245
N-ethyl-2-propan-2-ylsulfanylpentan-3-amine
CID 64632850
4-(ethylamino)hexan-3-ol
CID 130632244
2-N-ethyl-3-methylpentane-1,2-diamine
CID 62066397
N-ethyl-1,1,1-trifluoro-2-(trifluoromethyl)pentan-3-amine
CID 103311641
N-ethyl-2,5-dimethylheptan-4-amine
CID 63717421
N-ethyl-6-methoxy-4-methylhexan-3-amine
CID 63561367
2-tert-butylsulfinyl-N-ethylpentan-3-amine
CID 64652351
N-ethyl-2-pentylsulfonylpentan-3-amine
CID 107758688
N-ethyl-3,6-dimethyloctan-4-amine
CID 63717606
2-N-ethyl-1-N-(2-methylpentan-3-yl)propane-1,2-diamine
CID 154691714
(3R)-N-ethyl-2,5-dimethylhexan-3-amine
CID 59084835

Frequently Asked Questions

What is the IUPAC name of 3-(ethylamino)pentane-2-thiol?
The IUPAC name of 3-(ethylamino)pentane-2-thiol (CID 55286178) is 3-(ethylamino)pentane-2-thiol.
What is the SMILES notation for 3-(ethylamino)pentane-2-thiol?
The canonical SMILES for 3-(ethylamino)pentane-2-thiol is CCNC(CC)C(C)S.
What is the InChIKey of 3-(ethylamino)pentane-2-thiol?
The InChIKey is TYEWYTQUIDTMLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NS/c1-4-7(6(3)9)8-5-2/h6-9H,4-5H2,1-3H3.
What are the key properties of 3-(ethylamino)pentane-2-thiol?
3-(ethylamino)pentane-2-thiol has a molecular weight of 147.29 g/mol, XLogP of 1.69, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylamino)pentane-2-thiol is sourced from PubChem (CID 55286178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).