3-cyclohexylsulfanylpyrrolidine

C10H19NS — CID 18337178

IUPAC3-cyclohexylsulfanylpyrrolidine
SMILESC1CCC(SC2CCNC2)CC1
InChIInChI=1S/C10H19NS/c1-2-4-9(5-3-1)12-10-6-7-11-8-10/h9-11H,1-8H2
InChIKeyZTYLDSHYNILVBF-UHFFFAOYSA-N
MW185.34 g/mol
LogP2.41
Rot. Bonds2

About 3-cyclohexylsulfanylpyrrolidine

3-cyclohexylsulfanylpyrrolidine (PubChem CID 18337178) has the molecular formula C10H19NS and a molecular weight of 185.34 g/mol. Its IUPAC name is 3-cyclohexylsulfanylpyrrolidine.

Molecular Properties

Compound Name3-cyclohexylsulfanylpyrrolidine
PubChem CID18337178
Molecular FormulaC10H19NS
Molecular Weight185.34 g/mol
Exact Mass185.12
IUPAC Name3-cyclohexylsulfanylpyrrolidine
SMILESC1CCC(SC2CCNC2)CC1
InChIInChI=1S/C10H19NS/c1-2-4-9(5-3-1)12-10-6-7-11-8-10/h9-11H,1-8H2
InChIKeyZTYLDSHYNILVBF-UHFFFAOYSA-N
XLogP2.41
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.34
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(oxetan-3-ylsulfanyl)piperidine
CID 79327109
3-(piperidin-3-yldisulfanyl)piperidine
CID 152589134
(3R)-3-methylsulfanylpyrrolidine
CID 94401655
3-(2-cyclohexylethyl)pyrrolidine
CID 53409214
(3R)-3-tert-butylsulfanylpyrrolidine;hydrochloride
CID 67294223
4-(2-cyclopentylsulfanylethyl)piperidine
CID 105061347
(4aR,9aR)-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-cyclohepta[c]pyridine
CID 92720083
(4aS,10aR)-1,2,3,4,4a,5,6,7,8,9,10,10a-dodecahydrocycloocta[c]pyridine
CID 164752917
ethane;3-ethylsulfanylpyrrolidine
CID 143798471
3-propan-2-ylsulfanylpyrrolidine;hydrochloride
CID 72716432
2-methyl-1-pyrrolidin-3-ylsulfanylpropan-2-amine
CID 66229673
(3R)-3-propylsulfanylpyrrolidine
CID 89159387

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexylsulfanylpyrrolidine?
The IUPAC name of 3-cyclohexylsulfanylpyrrolidine (CID 18337178) is 3-cyclohexylsulfanylpyrrolidine.
What is the SMILES notation for 3-cyclohexylsulfanylpyrrolidine?
The canonical SMILES for 3-cyclohexylsulfanylpyrrolidine is C1CCC(SC2CCNC2)CC1.
What is the InChIKey of 3-cyclohexylsulfanylpyrrolidine?
The InChIKey is ZTYLDSHYNILVBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NS/c1-2-4-9(5-3-1)12-10-6-7-11-8-10/h9-11H,1-8H2.
What are the key properties of 3-cyclohexylsulfanylpyrrolidine?
3-cyclohexylsulfanylpyrrolidine has a molecular weight of 185.34 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexylsulfanylpyrrolidine is sourced from PubChem (CID 18337178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).