4-amino-N-[(propan-2-ylamino)methyl]pyridine-3-sulfonamide

C9H16N4O2S — CID 88944337

IUPAC4-amino-N-[(propan-2-ylamino)methyl]pyridine-3-sulfonamide
SMILESCC(C)NCNS(=O)(=O)c1cnccc1N
InChIInChI=1S/C9H16N4O2S/c1-7(2)12-6-13-16(14,15)9-5-11-4-3-8(9)10/h3-5,7,12-13H,6H2,1-2H3,(H2,10,11)
InChIKeyKWRGRWVYZMFCMF-UHFFFAOYSA-N
MW244.32 g/mol
LogP-0.10
Rot. Bonds5

About 4-amino-N-[(propan-2-ylamino)methyl]pyridine-3-sulfonamide

4-amino-N-[(propan-2-ylamino)methyl]pyridine-3-sulfonamide (PubChem CID 88944337) has the molecular formula C9H16N4O2S and a molecular weight of 244.32 g/mol. Its IUPAC name is 4-amino-N-[(propan-2-ylamino)methyl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name4-amino-N-[(propan-2-ylamino)methyl]pyridine-3-sulfonamide
PubChem CID88944337
Molecular FormulaC9H16N4O2S
Molecular Weight244.32 g/mol
Exact Mass244.10
IUPAC Name4-amino-N-[(propan-2-ylamino)methyl]pyridine-3-sulfonamide
SMILESCC(C)NCNS(=O)(=O)c1cnccc1N
InChIInChI=1S/C9H16N4O2S/c1-7(2)12-6-13-16(14,15)9-5-11-4-3-8(9)10/h3-5,7,12-13H,6H2,1-2H3,(H2,10,11)
InChIKeyKWRGRWVYZMFCMF-UHFFFAOYSA-N
XLogP-0.10
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.32
LogP ≤ 5-0.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-[(4-amino-3-pyridinyl)sulfonyl]-3-propan-2-ylurea
CID 142675963
4-amino-N-[2-(triazol-1-yl)ethyl]pyridine-3-sulfonamide
CID 113413216
4-amino-N-(5,6-dimethyl-1,2,4-triazin-3-yl)pyridine-3-sulfonamide
CID 114389263
4-amino-N-[2-(3-methoxyphenyl)ethyl]pyridine-3-sulfonamide
CID 107856245
4-amino-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)pyridine-3-sulfonamide
CID 66407159
4-amino-N-[1-(dimethylamino)propan-2-yl]-N-ethylpyridine-3-sulfonamide
CID 103191041
4-amino-N-(2,3-dimethylcyclopentyl)pyridine-3-sulfonamide
CID 64923066
N-(2,3-dimethylbutyl)-4-(methylamino)pyridine-3-sulfonamide
CID 64582352
3-(2-methylprop-1-enylsulfonyl)pyridin-4-amine
CID 143335351
4-amino-N-(2-chloro-4,6-difluorophenyl)pyridine-3-sulfonamide
CID 83087907
4-amino-N-(4-bromo-2,3-dichlorophenyl)pyridine-3-sulfonamide
CID 107793247
4-amino-N-(2-bromo-5-fluorophenyl)pyridine-3-sulfonamide
CID 107630755

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(propan-2-ylamino)methyl]pyridine-3-sulfonamide?
The IUPAC name of 4-amino-N-[(propan-2-ylamino)methyl]pyridine-3-sulfonamide (CID 88944337) is 4-amino-N-[(propan-2-ylamino)methyl]pyridine-3-sulfonamide.
What is the SMILES notation for 4-amino-N-[(propan-2-ylamino)methyl]pyridine-3-sulfonamide?
The canonical SMILES for 4-amino-N-[(propan-2-ylamino)methyl]pyridine-3-sulfonamide is CC(C)NCNS(=O)(=O)c1cnccc1N.
What is the InChIKey of 4-amino-N-[(propan-2-ylamino)methyl]pyridine-3-sulfonamide?
The InChIKey is KWRGRWVYZMFCMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O2S/c1-7(2)12-6-13-16(14,15)9-5-11-4-3-8(9)10/h3-5,7,12-13H,6H2,1-2H3,(H2,10,11).
What are the key properties of 4-amino-N-[(propan-2-ylamino)methyl]pyridine-3-sulfonamide?
4-amino-N-[(propan-2-ylamino)methyl]pyridine-3-sulfonamide has a molecular weight of 244.32 g/mol, XLogP of -0.10, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(propan-2-ylamino)methyl]pyridine-3-sulfonamide is sourced from PubChem (CID 88944337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).