2-(2-methylpropylsulfonyl)pyrrolidine

C8H17NO2S — CID 174885308

IUPAC2-(2-methylpropylsulfonyl)pyrrolidine
SMILESCC(C)CS(=O)(=O)C1CCCN1
InChIInChI=1S/C8H17NO2S/c1-7(2)6-12(10,11)8-4-3-5-9-8/h7-9H,3-6H2,1-2H3
InChIKeyXKPNQMJRZKMGPM-UHFFFAOYSA-N
MW191.30 g/mol
LogP0.77
Rot. Bonds3

About 2-(2-methylpropylsulfonyl)pyrrolidine

2-(2-methylpropylsulfonyl)pyrrolidine (PubChem CID 174885308) has the molecular formula C8H17NO2S and a molecular weight of 191.30 g/mol. Its IUPAC name is 2-(2-methylpropylsulfonyl)pyrrolidine.

Molecular Properties

Compound Name2-(2-methylpropylsulfonyl)pyrrolidine
PubChem CID174885308
Molecular FormulaC8H17NO2S
Molecular Weight191.30 g/mol
Exact Mass191.10
IUPAC Name2-(2-methylpropylsulfonyl)pyrrolidine
SMILESCC(C)CS(=O)(=O)C1CCCN1
InChIInChI=1S/C8H17NO2S/c1-7(2)6-12(10,11)8-4-3-5-9-8/h7-9H,3-6H2,1-2H3
InChIKeyXKPNQMJRZKMGPM-UHFFFAOYSA-N
XLogP0.77
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.30
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methylpropylsulfonylcyclopropane
CID 58333627
(2R)-pyrrolidine-2-sulfonamide
CID 54014211
(2S)-2-(2-methylpropylsulfonylmethyl)piperidine
CID 97301330
2-(2-methylpropylsulfonylmethyl)piperidine
CID 71777978
N-ethyl-2-methyl-N-(pyrrolidin-2-ylmethyl)propane-1-sulfonamide
CID 106608119
3-(2-methylpropylsulfonyl)azetidine
CID 71778262
N-[(3-ethylpiperidin-2-yl)methyl]-2-methylpropane-1-sulfonamide
CID 82734754
N,2-dimethyl-N-(piperidin-2-ylmethyl)propane-1-sulfonamide
CID 106630556
2-(3-methylbutylsulfonylmethyl)pyrrolidine
CID 115071189
(2S)-N-butylpyrrolidine-2-sulfonamide
CID 101411105
(1S)-2-methylsulfonyl-1-[(2S)-pyrrolidin-2-yl]ethanol
CID 138485657
N-methyl-2-(2-methylpropylsulfonyl)cyclododecan-1-amine
CID 64646822

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropylsulfonyl)pyrrolidine?
The IUPAC name of 2-(2-methylpropylsulfonyl)pyrrolidine (CID 174885308) is 2-(2-methylpropylsulfonyl)pyrrolidine.
What is the SMILES notation for 2-(2-methylpropylsulfonyl)pyrrolidine?
The canonical SMILES for 2-(2-methylpropylsulfonyl)pyrrolidine is CC(C)CS(=O)(=O)C1CCCN1.
What is the InChIKey of 2-(2-methylpropylsulfonyl)pyrrolidine?
The InChIKey is XKPNQMJRZKMGPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2S/c1-7(2)6-12(10,11)8-4-3-5-9-8/h7-9H,3-6H2,1-2H3.
What are the key properties of 2-(2-methylpropylsulfonyl)pyrrolidine?
2-(2-methylpropylsulfonyl)pyrrolidine has a molecular weight of 191.30 g/mol, XLogP of 0.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropylsulfonyl)pyrrolidine is sourced from PubChem (CID 174885308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).