4-aminopentane-1-thiol;ethane

C9H25NS — CID 142392337

IUPAC4-aminopentane-1-thiol;ethane
SMILESCC.CC.CC(N)CCCS
InChIInChI=1S/C5H13NS.2C2H6/c1-5(6)3-2-4-7;2*1-2/h5,7H,2-4,6H2,1H3;2*1-2H3
InChIKeyTYUBELMDBGRZSA-UHFFFAOYSA-N
MW179.37 g/mol
LogP3.10
Rot. Bonds3

About 4-aminopentane-1-thiol;ethane

4-aminopentane-1-thiol;ethane (PubChem CID 142392337) has the molecular formula C9H25NS and a molecular weight of 179.37 g/mol. Its IUPAC name is 4-aminopentane-1-thiol;ethane.

Molecular Properties

Compound Name4-aminopentane-1-thiol;ethane
PubChem CID142392337
Molecular FormulaC9H25NS
Molecular Weight179.37 g/mol
Exact Mass179.17
IUPAC Name4-aminopentane-1-thiol;ethane
SMILESCC.CC.CC(N)CCCS
InChIInChI=1S/C5H13NS.2C2H6/c1-5(6)3-2-4-7;2*1-2/h5,7H,2-4,6H2,1H3;2*1-2H3
InChIKeyTYUBELMDBGRZSA-UHFFFAOYSA-N
XLogP3.10
TPSA26.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.37
LogP ≤ 53.10
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

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6-methylnonan-2-amine
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3-methyl-6-sulfanylhexan-1-ol
CID 87063689
4-fluoropentane-1-thiol
CID 87282782
6-amino-2-methylheptane-2-thiol
CID 21432614
undecane-1,10-diamine
CID 140782210
(8S)-nonane-1,8-diamine
CID 87205838
(2S)-tridecan-2-amine
CID 24884182
(2S)-nonadecan-2-amine
CID 94864909
decane-1,9-diamine
CID 23448369

Frequently Asked Questions

What is the IUPAC name of 4-aminopentane-1-thiol;ethane?
The IUPAC name of 4-aminopentane-1-thiol;ethane (CID 142392337) is 4-aminopentane-1-thiol;ethane.
What is the SMILES notation for 4-aminopentane-1-thiol;ethane?
The canonical SMILES for 4-aminopentane-1-thiol;ethane is CC.CC.CC(N)CCCS.
What is the InChIKey of 4-aminopentane-1-thiol;ethane?
The InChIKey is TYUBELMDBGRZSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13NS.2C2H6/c1-5(6)3-2-4-7;2*1-2/h5,7H,2-4,6H2,1H3;2*1-2H3.
What are the key properties of 4-aminopentane-1-thiol;ethane?
4-aminopentane-1-thiol;ethane has a molecular weight of 179.37 g/mol, XLogP of 3.10, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-aminopentane-1-thiol;ethane is sourced from PubChem (CID 142392337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).