N-(2,2-dimethylcyclopropyl)-2-(propylamino)pyridine-3-sulfonamide

C13H21N3O2S — CID 55043650

IUPACN-(2,2-dimethylcyclopropyl)-2-(propylamino)pyridine-3-sulfonamide
SMILESCCCNc1ncccc1S(=O)(=O)NC1CC1(C)C
InChIInChI=1S/C13H21N3O2S/c1-4-7-14-12-10(6-5-8-15-12)19(17,18)16-11-9-13(11,2)3/h5-6,8,11,16H,4,7,9H2,1-3H3,(H,14,15)
InChIKeyXEYFVVCIDRFWMY-UHFFFAOYSA-N
MW283.40 g/mol
LogP1.98
Rot. Bonds6

About N-(2,2-dimethylcyclopropyl)-2-(propylamino)pyridine-3-sulfonamide

N-(2,2-dimethylcyclopropyl)-2-(propylamino)pyridine-3-sulfonamide (PubChem CID 55043650) has the molecular formula C13H21N3O2S and a molecular weight of 283.40 g/mol. Its IUPAC name is N-(2,2-dimethylcyclopropyl)-2-(propylamino)pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(2,2-dimethylcyclopropyl)-2-(propylamino)pyridine-3-sulfonamide
PubChem CID55043650
Molecular FormulaC13H21N3O2S
Molecular Weight283.40 g/mol
Exact Mass283.14
IUPAC NameN-(2,2-dimethylcyclopropyl)-2-(propylamino)pyridine-3-sulfonamide
SMILESCCCNc1ncccc1S(=O)(=O)NC1CC1(C)C
InChIInChI=1S/C13H21N3O2S/c1-4-7-14-12-10(6-5-8-15-12)19(17,18)16-11-9-13(11,2)3/h5-6,8,11,16H,4,7,9H2,1-3H3,(H,14,15)
InChIKeyXEYFVVCIDRFWMY-UHFFFAOYSA-N
XLogP1.98
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-(2,2-dimethylcyclopropyl)pyridine-3-sulfonamide
CID 62156766
N-[(1-methylcyclopentyl)methyl]-2-(propylamino)pyridine-3-sulfonamide
CID 63830359
N-(cyclopentylmethyl)-2-(propylamino)pyridine-3-sulfonamide
CID 62145695
N-(4-methylpentyl)-2-(propylamino)pyridine-3-sulfonamide
CID 63003516
N-(3-chloro-2-pyridinyl)-2-(propylamino)pyridine-3-sulfonamide
CID 103094788
N-(2,2-difluoroethyl)-2-(propylamino)pyridine-3-sulfonamide
CID 113304047
N-pentan-2-yl-2-(propylamino)pyridine-3-sulfonamide
CID 55044262
N-(2-methyl-4-pyridinyl)-2-(propylamino)pyridine-3-sulfonamide
CID 79233082
N-(oxan-4-ylmethyl)-2-(propylamino)pyridine-3-sulfonamide
CID 63706789
5-[[2-(propylamino)-3-pyridinyl]sulfonylamino]pentanamide
CID 106240943
N-(5-fluoro-2-pyridinyl)-2-(propylamino)pyridine-3-sulfonamide
CID 65480888
2-(ethylamino)-N-(2-methylcyclopropyl)pyridine-3-sulfonamide
CID 62410181

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylcyclopropyl)-2-(propylamino)pyridine-3-sulfonamide?
The IUPAC name of N-(2,2-dimethylcyclopropyl)-2-(propylamino)pyridine-3-sulfonamide (CID 55043650) is N-(2,2-dimethylcyclopropyl)-2-(propylamino)pyridine-3-sulfonamide.
What is the SMILES notation for N-(2,2-dimethylcyclopropyl)-2-(propylamino)pyridine-3-sulfonamide?
The canonical SMILES for N-(2,2-dimethylcyclopropyl)-2-(propylamino)pyridine-3-sulfonamide is CCCNc1ncccc1S(=O)(=O)NC1CC1(C)C.
What is the InChIKey of N-(2,2-dimethylcyclopropyl)-2-(propylamino)pyridine-3-sulfonamide?
The InChIKey is XEYFVVCIDRFWMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2S/c1-4-7-14-12-10(6-5-8-15-12)19(17,18)16-11-9-13(11,2)3/h5-6,8,11,16H,4,7,9H2,1-3H3,(H,14,15).
What are the key properties of N-(2,2-dimethylcyclopropyl)-2-(propylamino)pyridine-3-sulfonamide?
N-(2,2-dimethylcyclopropyl)-2-(propylamino)pyridine-3-sulfonamide has a molecular weight of 283.40 g/mol, XLogP of 1.98, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylcyclopropyl)-2-(propylamino)pyridine-3-sulfonamide is sourced from PubChem (CID 55043650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).