3,3-dimethyl-1-sulfanylpyrrolidine

C6H13NS — CID 143872157

IUPAC3,3-dimethyl-1-sulfanylpyrrolidine
SMILESCC1(C)CCN(S)C1
InChIInChI=1S/C6H13NS/c1-6(2)3-4-7(8)5-6/h8H,3-5H2,1-2H3
InChIKeyYDKSCDVZHMWOFW-UHFFFAOYSA-N
MW131.24 g/mol
LogP1.56
Rot. Bonds

About 3,3-dimethyl-1-sulfanylpyrrolidine

3,3-dimethyl-1-sulfanylpyrrolidine (PubChem CID 143872157) has the molecular formula C6H13NS and a molecular weight of 131.24 g/mol. Its IUPAC name is 3,3-dimethyl-1-sulfanylpyrrolidine.

Molecular Properties

Compound Name3,3-dimethyl-1-sulfanylpyrrolidine
PubChem CID143872157
Molecular FormulaC6H13NS
Molecular Weight131.24 g/mol
Exact Mass131.08
IUPAC Name3,3-dimethyl-1-sulfanylpyrrolidine
SMILESCC1(C)CCN(S)C1
InChIInChI=1S/C6H13NS/c1-6(2)3-4-7(8)5-6/h8H,3-5H2,1-2H3
InChIKeyYDKSCDVZHMWOFW-UHFFFAOYSA-N
XLogP1.56
TPSA3.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.24
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(4aS,8aS)-4a,8a-dimethyl-2-sulfanyl-3,4,5,6,7,8-hexahydro-1H-isoquinoline
CID 142337413
(7aS)-1,3a,7a-trimethyl-6-sulfanyl-3,4,5,7-tetrahydro-2H-pyrrolo[2,3-c]pyridine
CID 145242216
2,7-bis(sulfanyl)-2,7-diazaspiro[3.5]nonane
CID 169000386
1-methanidyl-3,3-dimethylpyrrolidine
CID 59704518
methane;1,3,3-trimethylpyrrolidine
CID 158632756
1-hydroxy-3,3-dimethylpyrrolidine
CID 119097491
1,3,3,5,7,7-hexamethyl-1,5-diazonane
CID 167025577
3-methyl-1-sulfanylazetidin-3-ol
CID 163918862
methoxymethane;1,3,3-trimethylpyrrolidine
CID 166534043
N,3,3-trimethylpyrrolidin-1-amine
CID 143246340
1,3,3-trimethylazepane
CID 18711354
methanethiol;1,4,4-trimethylpiperidine
CID 178113124

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-sulfanylpyrrolidine?
The IUPAC name of 3,3-dimethyl-1-sulfanylpyrrolidine (CID 143872157) is 3,3-dimethyl-1-sulfanylpyrrolidine.
What is the SMILES notation for 3,3-dimethyl-1-sulfanylpyrrolidine?
The canonical SMILES for 3,3-dimethyl-1-sulfanylpyrrolidine is CC1(C)CCN(S)C1.
What is the InChIKey of 3,3-dimethyl-1-sulfanylpyrrolidine?
The InChIKey is YDKSCDVZHMWOFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NS/c1-6(2)3-4-7(8)5-6/h8H,3-5H2,1-2H3.
What are the key properties of 3,3-dimethyl-1-sulfanylpyrrolidine?
3,3-dimethyl-1-sulfanylpyrrolidine has a molecular weight of 131.24 g/mol, XLogP of 1.56, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-sulfanylpyrrolidine is sourced from PubChem (CID 143872157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).