N-(cyclopropylmethyl)-2-(methylamino)-N-propylpyridine-3-sulfonamide

C13H21N3O2S — CID 62156926

IUPACN-(cyclopropylmethyl)-2-(methylamino)-N-propylpyridine-3-sulfonamide
SMILESCCCN(CC1CC1)S(=O)(=O)c1cccnc1NC
InChIInChI=1S/C13H21N3O2S/c1-3-9-16(10-11-6-7-11)19(17,18)12-5-4-8-15-13(12)14-2/h4-5,8,11H,3,6-7,9-10H2,1-2H3,(H,14,15)
InChIKeyHEMNAXNXCCKSKQ-UHFFFAOYSA-N
MW283.40 g/mol
LogP1.93
Rot. Bonds7

About N-(cyclopropylmethyl)-2-(methylamino)-N-propylpyridine-3-sulfonamide

N-(cyclopropylmethyl)-2-(methylamino)-N-propylpyridine-3-sulfonamide (PubChem CID 62156926) has the molecular formula C13H21N3O2S and a molecular weight of 283.40 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2-(methylamino)-N-propylpyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-2-(methylamino)-N-propylpyridine-3-sulfonamide
PubChem CID62156926
Molecular FormulaC13H21N3O2S
Molecular Weight283.40 g/mol
Exact Mass283.14
IUPAC NameN-(cyclopropylmethyl)-2-(methylamino)-N-propylpyridine-3-sulfonamide
SMILESCCCN(CC1CC1)S(=O)(=O)c1cccnc1NC
InChIInChI=1S/C13H21N3O2S/c1-3-9-16(10-11-6-7-11)19(17,18)12-5-4-8-15-13(12)14-2/h4-5,8,11H,3,6-7,9-10H2,1-2H3,(H,14,15)
InChIKeyHEMNAXNXCCKSKQ-UHFFFAOYSA-N
XLogP1.93
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(cyclopropylmethyl)-N-methyl-2-(propylamino)pyridine-3-sulfonamide
CID 62146200
2-bromo-N-(cyclopropylmethyl)-N-propylbenzenesulfonamide
CID 6734789
N-butyl-N-methyl-2-(methylamino)pyridine-3-sulfonamide
CID 62162650
N-(cyclopropylmethyl)-2-(ethylamino)-N-propan-2-ylpyridine-3-sulfonamide
CID 62152949
3-[[cyclopropylmethyl(propyl)amino]methyl]-N-methylpyridin-2-amine
CID 62471758
2-chloro-N-(cyclobutylmethyl)-N-ethylpyridine-3-sulfonamide
CID 107398331
N-cyclopropyl-N-propyl-2-(propylamino)pyridine-3-sulfonamide
CID 62144651
N-(1-cyclopropylbutan-2-yl)-2-(methylamino)pyridine-3-sulfonamide
CID 63995591
N-(cyclopropylmethyl)-2,6-difluoro-N-propylbenzenesulfonamide
CID 78787052
N-methyl-2-(methylamino)-N-(2-methylcyclohexyl)pyridine-3-sulfonamide
CID 62158876
N-(cyclopentylmethyl)-2-(methylamino)pyridine-3-sulfonamide
CID 62145518
2,4-dibromo-N-(cyclopropylmethyl)-N-propylbenzenesulfonamide
CID 60531054

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-2-(methylamino)-N-propylpyridine-3-sulfonamide?
The IUPAC name of N-(cyclopropylmethyl)-2-(methylamino)-N-propylpyridine-3-sulfonamide (CID 62156926) is N-(cyclopropylmethyl)-2-(methylamino)-N-propylpyridine-3-sulfonamide.
What is the SMILES notation for N-(cyclopropylmethyl)-2-(methylamino)-N-propylpyridine-3-sulfonamide?
The canonical SMILES for N-(cyclopropylmethyl)-2-(methylamino)-N-propylpyridine-3-sulfonamide is CCCN(CC1CC1)S(=O)(=O)c1cccnc1NC.
What is the InChIKey of N-(cyclopropylmethyl)-2-(methylamino)-N-propylpyridine-3-sulfonamide?
The InChIKey is HEMNAXNXCCKSKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2S/c1-3-9-16(10-11-6-7-11)19(17,18)12-5-4-8-15-13(12)14-2/h4-5,8,11H,3,6-7,9-10H2,1-2H3,(H,14,15).
What are the key properties of N-(cyclopropylmethyl)-2-(methylamino)-N-propylpyridine-3-sulfonamide?
N-(cyclopropylmethyl)-2-(methylamino)-N-propylpyridine-3-sulfonamide has a molecular weight of 283.40 g/mol, XLogP of 1.93, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-2-(methylamino)-N-propylpyridine-3-sulfonamide is sourced from PubChem (CID 62156926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).