6-(dimethylamino)-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]pyridine-3-sulfonamide

C18H25N5O2S — CID 126806105

IUPAC6-(dimethylamino)-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]pyridine-3-sulfonamide
SMILESCN(C)c1ccc(S(=O)(=O)NC[C@@H]2CCN(C)[C@H]2c2cccnc2)cn1
InChIInChI=1S/C18H25N5O2S/c1-22(2)17-7-6-16(13-20-17)26(24,25)21-12-15-8-10-23(3)18(15)14-5-4-9-19-11-14/h4-7,9,11,13,15,18,21H,8,10,12H2,1-3H3/t15-,18-/m0/s1
InChIKeyLCBQBNAHNNTMNM-YJBOKZPZSA-N
MW375.50 g/mol
LogP1.51
Rot. Bonds6

About 6-(dimethylamino)-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]pyridine-3-sulfonamide

6-(dimethylamino)-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]pyridine-3-sulfonamide (PubChem CID 126806105) has the molecular formula C18H25N5O2S and a molecular weight of 375.50 g/mol. Its IUPAC name is 6-(dimethylamino)-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-(dimethylamino)-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]pyridine-3-sulfonamide
PubChem CID126806105
Molecular FormulaC18H25N5O2S
Molecular Weight375.50 g/mol
Exact Mass375.17
IUPAC Name6-(dimethylamino)-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]pyridine-3-sulfonamide
SMILESCN(C)c1ccc(S(=O)(=O)NC[C@@H]2CCN(C)[C@H]2c2cccnc2)cn1
InChIInChI=1S/C18H25N5O2S/c1-22(2)17-7-6-16(13-20-17)26(24,25)21-12-15-8-10-23(3)18(15)14-5-4-9-19-11-14/h4-7,9,11,13,15,18,21H,8,10,12H2,1-3H3/t15-,18-/m0/s1
InChIKeyLCBQBNAHNNTMNM-YJBOKZPZSA-N
XLogP1.51
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.50
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(dimethylamino)-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]pyridine-3-sulfonamide?
The IUPAC name of 6-(dimethylamino)-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]pyridine-3-sulfonamide (CID 126806105) is 6-(dimethylamino)-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]pyridine-3-sulfonamide.
What is the SMILES notation for 6-(dimethylamino)-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]pyridine-3-sulfonamide?
The canonical SMILES for 6-(dimethylamino)-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]pyridine-3-sulfonamide is CN(C)c1ccc(S(=O)(=O)NC[C@@H]2CCN(C)[C@H]2c2cccnc2)cn1.
What is the InChIKey of 6-(dimethylamino)-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]pyridine-3-sulfonamide?
The InChIKey is LCBQBNAHNNTMNM-YJBOKZPZSA-N. The full InChI is InChI=1S/C18H25N5O2S/c1-22(2)17-7-6-16(13-20-17)26(24,25)21-12-15-8-10-23(3)18(15)14-5-4-9-19-11-14/h4-7,9,11,13,15,18,21H,8,10,12H2,1-3H3/t15-,18-/m0/s1.
What are the key properties of 6-(dimethylamino)-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]pyridine-3-sulfonamide?
6-(dimethylamino)-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]pyridine-3-sulfonamide has a molecular weight of 375.50 g/mol, XLogP of 1.51, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(dimethylamino)-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]pyridine-3-sulfonamide is sourced from PubChem (CID 126806105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).