2-(methylamino)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzenesulfonamide

C15H25N3O2S — CID 62158541

IUPAC2-(methylamino)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzenesulfonamide
SMILESCNc1ccccc1S(=O)(=O)NCC1CCN(C(C)C)C1
InChIInChI=1S/C15H25N3O2S/c1-12(2)18-9-8-13(11-18)10-17-21(19,20)15-7-5-4-6-14(15)16-3/h4-7,12-13,16-17H,8-11H2,1-3H3
InChIKeyAVAPPTGDVVVZQH-UHFFFAOYSA-N
MW311.45 g/mol
LogP1.74
Rot. Bonds6

About 2-(methylamino)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzenesulfonamide

2-(methylamino)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzenesulfonamide (PubChem CID 62158541) has the molecular formula C15H25N3O2S and a molecular weight of 311.45 g/mol. Its IUPAC name is 2-(methylamino)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name2-(methylamino)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzenesulfonamide
PubChem CID62158541
Molecular FormulaC15H25N3O2S
Molecular Weight311.45 g/mol
Exact Mass311.17
IUPAC Name2-(methylamino)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzenesulfonamide
SMILESCNc1ccccc1S(=O)(=O)NCC1CCN(C(C)C)C1
InChIInChI=1S/C15H25N3O2S/c1-12(2)18-9-8-13(11-18)10-17-21(19,20)15-7-5-4-6-14(15)16-3/h4-7,12-13,16-17H,8-11H2,1-3H3
InChIKeyAVAPPTGDVVVZQH-UHFFFAOYSA-N
XLogP1.74
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(methylamino)-N-[(1-methylpiperidin-3-yl)methyl]benzenesulfonamide
CID 62159127
N-[(4-ethylcyclohexyl)methyl]-2-(methylamino)benzenesulfonamide
CID 62152226
5-bromo-2-methyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzenesulfonamide
CID 61207007
3-hydrazinyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyridine-2-sulfonamide
CID 103301342
2-(ethylamino)-N-[(1-methylpyrrolidin-3-yl)methyl]benzenesulfonamide
CID 62145800
4-bromo-2-chloro-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzenesulfonamide
CID 61207385
6-chloro-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyridine-3-sulfonamide
CID 61215514
2-(methylamino)-N-(2-piperidin-1-ylpropyl)benzenesulfonamide
CID 62152910
3-bromo-4-chloro-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzenesulfonamide
CID 106611017
4-phenyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]benzenesulfonamide
CID 16887580
N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-2-(trifluoromethyl)aniline
CID 62312591
2,5-dimethyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]benzenesulfonamide
CID 16887555

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzenesulfonamide?
The IUPAC name of 2-(methylamino)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzenesulfonamide (CID 62158541) is 2-(methylamino)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 2-(methylamino)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzenesulfonamide?
The canonical SMILES for 2-(methylamino)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzenesulfonamide is CNc1ccccc1S(=O)(=O)NCC1CCN(C(C)C)C1.
What is the InChIKey of 2-(methylamino)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzenesulfonamide?
The InChIKey is AVAPPTGDVVVZQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2S/c1-12(2)18-9-8-13(11-18)10-17-21(19,20)15-7-5-4-6-14(15)16-3/h4-7,12-13,16-17H,8-11H2,1-3H3.
What are the key properties of 2-(methylamino)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzenesulfonamide?
2-(methylamino)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzenesulfonamide has a molecular weight of 311.45 g/mol, XLogP of 1.74, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 62158541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).