(Z)-2-amino-3-pyrrolidin-3-ylprop-1-ene-1-thiol

C7H14N2S — CID 143018358

IUPAC(Z)-2-amino-3-pyrrolidin-3-ylprop-1-ene-1-thiol
SMILESN/C(=C\S)CC1CCNC1
InChIInChI=1S/C7H14N2S/c8-7(5-10)3-6-1-2-9-4-6/h5-6,9-10H,1-4,8H2/b7-5-
InChIKeyLKCSXWKHHDYBJN-ALCCZGGFSA-N
MW158.27 g/mol
LogP0.72
Rot. Bonds2

About (Z)-2-amino-3-pyrrolidin-3-ylprop-1-ene-1-thiol

(Z)-2-amino-3-pyrrolidin-3-ylprop-1-ene-1-thiol (PubChem CID 143018358) has the molecular formula C7H14N2S and a molecular weight of 158.27 g/mol. Its IUPAC name is (Z)-2-amino-3-pyrrolidin-3-ylprop-1-ene-1-thiol.

Molecular Properties

Compound Name(Z)-2-amino-3-pyrrolidin-3-ylprop-1-ene-1-thiol
PubChem CID143018358
Molecular FormulaC7H14N2S
Molecular Weight158.27 g/mol
Exact Mass158.09
IUPAC Name(Z)-2-amino-3-pyrrolidin-3-ylprop-1-ene-1-thiol
SMILESN/C(=C\S)CC1CCNC1
InChIInChI=1S/C7H14N2S/c8-7(5-10)3-6-1-2-9-4-6/h5-6,9-10H,1-4,8H2/b7-5-
InChIKeyLKCSXWKHHDYBJN-ALCCZGGFSA-N
XLogP0.72
TPSA38.05 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.27
LogP ≤ 50.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3R)-3-[2-[(3R)-pyrrolidin-3-yl]ethyl]pyrrolidine
CID 129415517
3-[(3R)-pyrrolidin-3-yl]propanamide
CID 174976551
2-fluoro-3-pyrrolidin-3-ylpropanal
CID 105428766
2-pyrrolidin-3-ylacetic acid;hydrochloride
CID 42614151
3-(pyrrolidin-3-ylmethyl)but-3-enal
CID 117268348
ethane;pyrrolidin-3-ylmethanamine
CID 142426131
acetyl 2-pyrrolidin-3-ylacetate
CID 57229182
(2S)-2-amino-3-[(3R)-pyrrolidin-3-yl]propanoic acid
CID 86331139
1-pyrrolidin-3-ylpent-4-en-2-one
CID 116583305
1-[(3S)-pyrrolidin-3-yl]pent-4-en-2-one
CID 146425669
N-[[(3S)-pyrrolidin-3-yl]methyl]ethanamine;sulfane
CID 159305562
3-(cyclopropylsulfanylmethyl)pyrrolidine
CID 84650659

Frequently Asked Questions

What is the IUPAC name of (Z)-2-amino-3-pyrrolidin-3-ylprop-1-ene-1-thiol?
The IUPAC name of (Z)-2-amino-3-pyrrolidin-3-ylprop-1-ene-1-thiol (CID 143018358) is (Z)-2-amino-3-pyrrolidin-3-ylprop-1-ene-1-thiol.
What is the SMILES notation for (Z)-2-amino-3-pyrrolidin-3-ylprop-1-ene-1-thiol?
The canonical SMILES for (Z)-2-amino-3-pyrrolidin-3-ylprop-1-ene-1-thiol is N/C(=C\S)CC1CCNC1.
What is the InChIKey of (Z)-2-amino-3-pyrrolidin-3-ylprop-1-ene-1-thiol?
The InChIKey is LKCSXWKHHDYBJN-ALCCZGGFSA-N. The full InChI is InChI=1S/C7H14N2S/c8-7(5-10)3-6-1-2-9-4-6/h5-6,9-10H,1-4,8H2/b7-5-.
What are the key properties of (Z)-2-amino-3-pyrrolidin-3-ylprop-1-ene-1-thiol?
(Z)-2-amino-3-pyrrolidin-3-ylprop-1-ene-1-thiol has a molecular weight of 158.27 g/mol, XLogP of 0.72, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-amino-3-pyrrolidin-3-ylprop-1-ene-1-thiol is sourced from PubChem (CID 143018358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).