3-propan-2-ylsulfanylpyrrolidine;hydrochloride

C7H16ClNS — CID 72716432

IUPAC3-propan-2-ylsulfanylpyrrolidine;hydrochloride
SMILESCC(C)SC1CCNC1.Cl
InChIInChI=1S/C7H15NS.ClH/c1-6(2)9-7-3-4-8-5-7;/h6-8H,3-5H2,1-2H3;1H
InChIKeyYSMPBZMXKWIOML-UHFFFAOYSA-N
MW181.73 g/mol
LogP1.91
Rot. Bonds2

About 3-propan-2-ylsulfanylpyrrolidine;hydrochloride

3-propan-2-ylsulfanylpyrrolidine;hydrochloride (PubChem CID 72716432) has the molecular formula C7H16ClNS and a molecular weight of 181.73 g/mol. Its IUPAC name is 3-propan-2-ylsulfanylpyrrolidine;hydrochloride.

Molecular Properties

Compound Name3-propan-2-ylsulfanylpyrrolidine;hydrochloride
PubChem CID72716432
Molecular FormulaC7H16ClNS
Molecular Weight181.73 g/mol
Exact Mass181.07
IUPAC Name3-propan-2-ylsulfanylpyrrolidine;hydrochloride
SMILESCC(C)SC1CCNC1.Cl
InChIInChI=1S/C7H15NS.ClH/c1-6(2)9-7-3-4-8-5-7;/h6-8H,3-5H2,1-2H3;1H
InChIKeyYSMPBZMXKWIOML-UHFFFAOYSA-N
XLogP1.91
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.73
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-3-methylsulfanylpyrrolidine
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3-(2-methylpropylsulfanyl)pyrrolidine
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(3R)-3-tert-butylsulfanylpyrrolidine;hydrochloride
CID 67294223
3-(2-methylbutylsulfanyl)pyrrolidine
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2-piperidin-3-ylsulfanylpropan-1-amine
CID 66244318
ethane;3-ethylsulfanylpyrrolidine
CID 143798471
4,6-dimethyl-2-[(3S)-pyrrolidin-3-yl]sulfanylpyrimidine;hydrochloride
CID 71638426
(3R)-3-propylsulfanylpyrrolidine
CID 89159387
3-pyrrolidin-3-ylsulfanylpropan-1-ol
CID 66127251
3-cyclohexylsulfanylpyrrolidine
CID 18337178
4,6-dimethyl-2-pyrrolidin-3-ylsulfanylpyrimidine
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(3R,4R)-3-fluoro-4-propan-2-ylpiperidine
CID 168979168

Frequently Asked Questions

What is the IUPAC name of 3-propan-2-ylsulfanylpyrrolidine;hydrochloride?
The IUPAC name of 3-propan-2-ylsulfanylpyrrolidine;hydrochloride (CID 72716432) is 3-propan-2-ylsulfanylpyrrolidine;hydrochloride.
What is the SMILES notation for 3-propan-2-ylsulfanylpyrrolidine;hydrochloride?
The canonical SMILES for 3-propan-2-ylsulfanylpyrrolidine;hydrochloride is CC(C)SC1CCNC1.Cl.
What is the InChIKey of 3-propan-2-ylsulfanylpyrrolidine;hydrochloride?
The InChIKey is YSMPBZMXKWIOML-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NS.ClH/c1-6(2)9-7-3-4-8-5-7;/h6-8H,3-5H2,1-2H3;1H.
What are the key properties of 3-propan-2-ylsulfanylpyrrolidine;hydrochloride?
3-propan-2-ylsulfanylpyrrolidine;hydrochloride has a molecular weight of 181.73 g/mol, XLogP of 1.91, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-ylsulfanylpyrrolidine;hydrochloride is sourced from PubChem (CID 72716432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).