(2S)-2-amino-1-pyrrolidin-1-ylpropane-1-thione;hydrochloride

C7H15ClN2S — CID 53482072

IUPAC(2S)-2-amino-1-pyrrolidin-1-ylpropane-1-thione;hydrochloride
SMILESC[C@H](N)C(=S)N1CCCC1.Cl
InChIInChI=1S/C7H14N2S.ClH/c1-6(8)7(10)9-4-2-3-5-9;/h6H,2-5,8H2,1H3;1H/t6-;/m0./s1
InChIKeyLXPYPNJLYBHQSN-RGMNGODLSA-N
MW194.73 g/mol
LogP1.18
Rot. Bonds1

About (2S)-2-amino-1-pyrrolidin-1-ylpropane-1-thione;hydrochloride

(2S)-2-amino-1-pyrrolidin-1-ylpropane-1-thione;hydrochloride (PubChem CID 53482072) has the molecular formula C7H15ClN2S and a molecular weight of 194.73 g/mol. Its IUPAC name is (2S)-2-amino-1-pyrrolidin-1-ylpropane-1-thione;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-1-pyrrolidin-1-ylpropane-1-thione;hydrochloride
PubChem CID53482072
Molecular FormulaC7H15ClN2S
Molecular Weight194.73 g/mol
Exact Mass194.06
IUPAC Name(2S)-2-amino-1-pyrrolidin-1-ylpropane-1-thione;hydrochloride
SMILESC[C@H](N)C(=S)N1CCCC1.Cl
InChIInChI=1S/C7H14N2S.ClH/c1-6(8)7(10)9-4-2-3-5-9;/h6H,2-5,8H2,1H3;1H/t6-;/m0./s1
InChIKeyLXPYPNJLYBHQSN-RGMNGODLSA-N
XLogP1.18
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.73
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-amino-1-pyrrolidin-1-ylpropane-1-thione;hydrochloride
CID 56846378
(2S)-2-amino-3-methyl-1-pyrrolidin-1-ylbutane-1-thione;hydrochloride
CID 56845381
2-amino-1-(azetidin-1-yl)propan-1-one;hydrochloride
CID 53484454
(2S)-2-amino-1-(azetidin-1-yl)propan-1-one;hydrochloride
CID 53484456
2-pyrrolidin-1-ylpropanethioamide
CID 20508430
2-amino-3-cyclohexyl-1-piperidin-1-ylpropane-1-thione
CID 85093242
N-[(2S)-2-aminopropanoyl]pyrrolidine-1-carboxamide
CID 21080226
(2S)-2-aminopropanoic acid;N,N-di(propan-2-yl)pyrrolidine-1-carboxamide
CID 174553073
propan-2-amine;1-propan-2-ylpiperidine
CID 142245197
ethyl 1-[(2R)-2-aminopropanoyl]piperidine-3-carboxylate;hydrochloride
CID 120872698
(3R)-3-amino-1-piperidin-1-ylbutan-1-one
CID 59102647
N-(3-amino-3-sulfanylidenepropyl)-N-propan-2-ylpiperidine-1-carboxamide
CID 79155454

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-1-pyrrolidin-1-ylpropane-1-thione;hydrochloride?
The IUPAC name of (2S)-2-amino-1-pyrrolidin-1-ylpropane-1-thione;hydrochloride (CID 53482072) is (2S)-2-amino-1-pyrrolidin-1-ylpropane-1-thione;hydrochloride.
What is the SMILES notation for (2S)-2-amino-1-pyrrolidin-1-ylpropane-1-thione;hydrochloride?
The canonical SMILES for (2S)-2-amino-1-pyrrolidin-1-ylpropane-1-thione;hydrochloride is C[C@H](N)C(=S)N1CCCC1.Cl.
What is the InChIKey of (2S)-2-amino-1-pyrrolidin-1-ylpropane-1-thione;hydrochloride?
The InChIKey is LXPYPNJLYBHQSN-RGMNGODLSA-N. The full InChI is InChI=1S/C7H14N2S.ClH/c1-6(8)7(10)9-4-2-3-5-9;/h6H,2-5,8H2,1H3;1H/t6-;/m0./s1.
What are the key properties of (2S)-2-amino-1-pyrrolidin-1-ylpropane-1-thione;hydrochloride?
(2S)-2-amino-1-pyrrolidin-1-ylpropane-1-thione;hydrochloride has a molecular weight of 194.73 g/mol, XLogP of 1.18, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-1-pyrrolidin-1-ylpropane-1-thione;hydrochloride is sourced from PubChem (CID 53482072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).