(1-methylsulfonylpyrrolidin-3-yl)methanamine

C6H14N2O2S — CID 62062682

IUPAC(1-methylsulfonylpyrrolidin-3-yl)methanamine
SMILESCS(=O)(=O)N1CCC(CN)C1
InChIInChI=1S/C6H14N2O2S/c1-11(9,10)8-3-2-6(4-7)5-8/h6H,2-5,7H2,1H3
InChIKeyLQERHHJDFKVWEH-UHFFFAOYSA-N
MW178.26 g/mol
LogP-0.77
Rot. Bonds2

About (1-methylsulfonylpyrrolidin-3-yl)methanamine

(1-methylsulfonylpyrrolidin-3-yl)methanamine (PubChem CID 62062682) has the molecular formula C6H14N2O2S and a molecular weight of 178.26 g/mol. Its IUPAC name is (1-methylsulfonylpyrrolidin-3-yl)methanamine.

Molecular Properties

Compound Name(1-methylsulfonylpyrrolidin-3-yl)methanamine
PubChem CID62062682
Molecular FormulaC6H14N2O2S
Molecular Weight178.26 g/mol
Exact Mass178.08
IUPAC Name(1-methylsulfonylpyrrolidin-3-yl)methanamine
SMILESCS(=O)(=O)N1CCC(CN)C1
InChIInChI=1S/C6H14N2O2S/c1-11(9,10)8-3-2-6(4-7)5-8/h6H,2-5,7H2,1H3
InChIKeyLQERHHJDFKVWEH-UHFFFAOYSA-N
XLogP-0.77
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.26
LogP ≤ 5-0.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Pyrrolidin-3-yl-methanesulfonic acid
CID 125605
(1-Methanesulfonylpyrrolidin-3-yl)methanamine hydrochloride
CID 71757122
4-[(Dimethylamino)methyl]-1-methanesulfonylpyrrolidin-3-amine
CID 90488126
1-fluoro-N-(4-methylpyrrolidin-3-yl)methanesulfonamide
CID 175931178
N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]methanesulfonamide
CID 61059356
[1-(Difluoromethylsulfonyl)pyrrolidin-3-yl]methanamine
CID 62061980
[1-(Trifluoromethylsulfonyl)pyrrolidin-3-yl]methanamine
CID 62061993
N-methyl-1-[1-(trifluoromethylsulfonyl)pyrrolidin-3-yl]methanamine
CID 63263924
1-[1-(difluoromethylsulfonyl)pyrrolidin-3-yl]-N-methylmethanamine
CID 63264418
1,1-difluoro-N-(pyrrolidin-3-ylmethyl)methanesulfonamide
CID 80563257
N-(3-pyrrolidin-1-ylpropyl)methanesulfonamide
CID 17639898
3-Methyl-1-methylsulfonylpyrrolidine
CID 20752922

Frequently Asked Questions

What is the IUPAC name of (1-methylsulfonylpyrrolidin-3-yl)methanamine?
The IUPAC name of (1-methylsulfonylpyrrolidin-3-yl)methanamine (CID 62062682) is (1-methylsulfonylpyrrolidin-3-yl)methanamine.
What is the SMILES notation for (1-methylsulfonylpyrrolidin-3-yl)methanamine?
The canonical SMILES for (1-methylsulfonylpyrrolidin-3-yl)methanamine is CS(=O)(=O)N1CCC(CN)C1.
What is the InChIKey of (1-methylsulfonylpyrrolidin-3-yl)methanamine?
The InChIKey is LQERHHJDFKVWEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O2S/c1-11(9,10)8-3-2-6(4-7)5-8/h6H,2-5,7H2,1H3.
What are the key properties of (1-methylsulfonylpyrrolidin-3-yl)methanamine?
(1-methylsulfonylpyrrolidin-3-yl)methanamine has a molecular weight of 178.26 g/mol, XLogP of -0.77, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylsulfonylpyrrolidin-3-yl)methanamine is sourced from PubChem (CID 62062682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).