N-methyl-1-(2-methyl-1-pyridin-3-ylsulfonylpyrrolidin-2-yl)methanamine

C12H19N3O2S — CID 115270623

IUPACN-methyl-1-(2-methyl-1-pyridin-3-ylsulfonylpyrrolidin-2-yl)methanamine
SMILESCNCC1(C)CCCN1S(=O)(=O)c1cccnc1
InChIInChI=1S/C12H19N3O2S/c1-12(10-13-2)6-4-8-15(12)18(16,17)11-5-3-7-14-9-11/h3,5,7,9,13H,4,6,8,10H2,1-2H3
InChIKeyLWRGIXQLPVQCLB-UHFFFAOYSA-N
MW269.37 g/mol
LogP0.84
Rot. Bonds4

About N-methyl-1-(2-methyl-1-pyridin-3-ylsulfonylpyrrolidin-2-yl)methanamine

N-methyl-1-(2-methyl-1-pyridin-3-ylsulfonylpyrrolidin-2-yl)methanamine (PubChem CID 115270623) has the molecular formula C12H19N3O2S and a molecular weight of 269.37 g/mol. Its IUPAC name is N-methyl-1-(2-methyl-1-pyridin-3-ylsulfonylpyrrolidin-2-yl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(2-methyl-1-pyridin-3-ylsulfonylpyrrolidin-2-yl)methanamine
PubChem CID115270623
Molecular FormulaC12H19N3O2S
Molecular Weight269.37 g/mol
Exact Mass269.12
IUPAC NameN-methyl-1-(2-methyl-1-pyridin-3-ylsulfonylpyrrolidin-2-yl)methanamine
SMILESCNCC1(C)CCCN1S(=O)(=O)c1cccnc1
InChIInChI=1S/C12H19N3O2S/c1-12(10-13-2)6-4-8-15(12)18(16,17)11-5-3-7-14-9-11/h3,5,7,9,13H,4,6,8,10H2,1-2H3
InChIKeyLWRGIXQLPVQCLB-UHFFFAOYSA-N
XLogP0.84
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-methyl-2-(2-methyl-1-pyridin-3-ylsulfonylpyrrolidin-2-yl)pyrimidin-4-amine
CID 102604161
N-[(3-methylpiperidin-3-yl)methyl]pyridine-3-sulfonamide;hydrochloride
CID 120720795
2-pyridin-3-ylsulfonyl-2-azaspiro[4.5]decane
CID 71871364
4-ethyl-1-pyridin-3-ylsulfonylpiperidine-4-carboxylic acid
CID 63125638
N-[(4-methylpiperidin-4-yl)methyl]pyridine-3-sulfonamide;hydrochloride
CID 120720360
N',3-dimethyl-3-propyl-N-[2-(pyridin-3-ylsulfonylamino)ethyl]piperidine-1-carboximidamide
CID 109490604
(3R)-N-methyl-1-pyridin-3-ylsulfonylpiperidine-3-carboxamide
CID 95828955
N-methyl-1-(1-pyridin-3-ylcyclobutyl)methanamine
CID 80522291
(5R)-7-propan-2-yl-2-pyridin-3-ylsulfonyl-2,7-diazaspiro[4.5]decan-6-one
CID 97138313
[(3S)-3-(cyclopropylmethyl)-1-pyridin-3-ylsulfonylpiperidin-3-yl]methanol
CID 97130526
2-methyl-N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]propan-2-amine
CID 63878235
1-[(pyridin-3-ylsulfonylamino)methyl]cyclopentane-1-carboxylic acid
CID 113309102

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(2-methyl-1-pyridin-3-ylsulfonylpyrrolidin-2-yl)methanamine?
The IUPAC name of N-methyl-1-(2-methyl-1-pyridin-3-ylsulfonylpyrrolidin-2-yl)methanamine (CID 115270623) is N-methyl-1-(2-methyl-1-pyridin-3-ylsulfonylpyrrolidin-2-yl)methanamine.
What is the SMILES notation for N-methyl-1-(2-methyl-1-pyridin-3-ylsulfonylpyrrolidin-2-yl)methanamine?
The canonical SMILES for N-methyl-1-(2-methyl-1-pyridin-3-ylsulfonylpyrrolidin-2-yl)methanamine is CNCC1(C)CCCN1S(=O)(=O)c1cccnc1.
What is the InChIKey of N-methyl-1-(2-methyl-1-pyridin-3-ylsulfonylpyrrolidin-2-yl)methanamine?
The InChIKey is LWRGIXQLPVQCLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2S/c1-12(10-13-2)6-4-8-15(12)18(16,17)11-5-3-7-14-9-11/h3,5,7,9,13H,4,6,8,10H2,1-2H3.
What are the key properties of N-methyl-1-(2-methyl-1-pyridin-3-ylsulfonylpyrrolidin-2-yl)methanamine?
N-methyl-1-(2-methyl-1-pyridin-3-ylsulfonylpyrrolidin-2-yl)methanamine has a molecular weight of 269.37 g/mol, XLogP of 0.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(2-methyl-1-pyridin-3-ylsulfonylpyrrolidin-2-yl)methanamine is sourced from PubChem (CID 115270623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).