3-aminopent-1-ene-3-thiol

C5H11NS — CID 123736018

IUPAC3-aminopent-1-ene-3-thiol
SMILESC=CC(N)(S)CC
InChIInChI=1S/C5H11NS/c1-3-5(6,7)4-2/h3,7H,1,4,6H2,2H3
InChIKeyANHMMCSWIDWWLL-UHFFFAOYSA-N
MW117.22 g/mol
LogP1.17
Rot. Bonds2

About 3-aminopent-1-ene-3-thiol

3-aminopent-1-ene-3-thiol (PubChem CID 123736018) has the molecular formula C5H11NS and a molecular weight of 117.22 g/mol. Its IUPAC name is 3-aminopent-1-ene-3-thiol.

Molecular Properties

Compound Name3-aminopent-1-ene-3-thiol
PubChem CID123736018
Molecular FormulaC5H11NS
Molecular Weight117.22 g/mol
Exact Mass117.06
IUPAC Name3-aminopent-1-ene-3-thiol
SMILESC=CC(N)(S)CC
InChIInChI=1S/C5H11NS/c1-3-5(6,7)4-2/h3,7H,1,4,6H2,2H3
InChIKeyANHMMCSWIDWWLL-UHFFFAOYSA-N
XLogP1.17
TPSA26.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.22
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3,3-dimethylpent-1-ene;ethane
CID 142059460
hex-1-ene-3,3-diamine
CID 167559937
3,3-difluorobut-1-ene;propane
CID 143721745
but-1-ene;3,3-dimethylpent-1-ene;ethane;ethene
CID 142056608
3-ethylpenta-1,4-dien-3-ol
CID 131852756
2-ethyl-2-fluorobut-3-en-1-amine
CID 112565923
3-ethylhex-4-en-3-amine
CID 174912899
(Z)-hex-4-ene-3,3-diamine
CID 90219122
(2R)-3-ethyl-3-methylpent-4-en-2-amine
CID 143354853
1,1-disilylprop-2-en-1-amine
CID 173457267
but-1-ene;ethene
CID 19017343
3-ethyl-4-methylocta-1,7-diene-3-thiol
CID 146608566

Frequently Asked Questions

What is the IUPAC name of 3-aminopent-1-ene-3-thiol?
The IUPAC name of 3-aminopent-1-ene-3-thiol (CID 123736018) is 3-aminopent-1-ene-3-thiol.
What is the SMILES notation for 3-aminopent-1-ene-3-thiol?
The canonical SMILES for 3-aminopent-1-ene-3-thiol is C=CC(N)(S)CC.
What is the InChIKey of 3-aminopent-1-ene-3-thiol?
The InChIKey is ANHMMCSWIDWWLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NS/c1-3-5(6,7)4-2/h3,7H,1,4,6H2,2H3.
What are the key properties of 3-aminopent-1-ene-3-thiol?
3-aminopent-1-ene-3-thiol has a molecular weight of 117.22 g/mol, XLogP of 1.17, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-aminopent-1-ene-3-thiol is sourced from PubChem (CID 123736018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).