3-aminopent-1-ene-2-thiol

C5H11NS — CID 153133138

IUPAC3-aminopent-1-ene-2-thiol
SMILESC=C(S)C(N)CC
InChIInChI=1S/C5H11NS/c1-3-5(6)4(2)7/h5,7H,2-3,6H2,1H3
InChIKeyVXDBJTABHSBSJD-UHFFFAOYSA-N
MW117.22 g/mol
LogP1.17
Rot. Bonds2

About 3-aminopent-1-ene-2-thiol

3-aminopent-1-ene-2-thiol (PubChem CID 153133138) has the molecular formula C5H11NS and a molecular weight of 117.22 g/mol. Its IUPAC name is 3-aminopent-1-ene-2-thiol.

Molecular Properties

Compound Name3-aminopent-1-ene-2-thiol
PubChem CID153133138
Molecular FormulaC5H11NS
Molecular Weight117.22 g/mol
Exact Mass117.06
IUPAC Name3-aminopent-1-ene-2-thiol
SMILESC=C(S)C(N)CC
InChIInChI=1S/C5H11NS/c1-3-5(6)4(2)7/h5,7H,2-3,6H2,1H3
InChIKeyVXDBJTABHSBSJD-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': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

3-amino-2-methylidenepentanoic acid
CID 23312012
2-aminobutanoic acid;2-methylprop-2-enoic acid
CID 161129910
bis(methyl (2S)-2-aminobutanoate);dihydrochloride
CID 174939060
4-methylhex-4-en-3-amine
CID 123973735
2-aminobutanamide;hydrochloride
CID 14333659
1-amino-2-methylidenebutane-1-thiol
CID 155305632
2-aminobutanoic acid;ethane
CID 90764297
2-aminobutanoic acid;sulfane
CID 162128083
aluminum 2-aminobutanoic acid
CID 19792235
butan-2-amine;tetrakis(2-methylbut-1-ene)
CID 158391457
2-[[(3S)-3-aminopent-1-en-2-yl]amino]acetic acid
CID 144656113
acetic acid;(2R)-2-aminobutanoic acid
CID 87105922

Frequently Asked Questions

What is the IUPAC name of 3-aminopent-1-ene-2-thiol?
The IUPAC name of 3-aminopent-1-ene-2-thiol (CID 153133138) is 3-aminopent-1-ene-2-thiol.
What is the SMILES notation for 3-aminopent-1-ene-2-thiol?
The canonical SMILES for 3-aminopent-1-ene-2-thiol is C=C(S)C(N)CC.
What is the InChIKey of 3-aminopent-1-ene-2-thiol?
The InChIKey is VXDBJTABHSBSJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NS/c1-3-5(6)4(2)7/h5,7H,2-3,6H2,1H3.
What are the key properties of 3-aminopent-1-ene-2-thiol?
3-aminopent-1-ene-2-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-2-thiol is sourced from PubChem (CID 153133138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).