2-(aminomethyl)-N-[1-(trifluoromethyl)cyclopropyl]pyridine-3-sulfonamide

C10H12F3N3O2S — CID 106217438

IUPAC2-(aminomethyl)-N-[1-(trifluoromethyl)cyclopropyl]pyridine-3-sulfonamide
SMILESNCc1ncccc1S(=O)(=O)NC1(C(F)(F)F)CC1
InChIInChI=1S/C10H12F3N3O2S/c11-10(12,13)9(3-4-9)16-19(17,18)8-2-1-5-15-7(8)6-14/h1-2,5,16H,3-4,6,14H2
InChIKeyKVUILPBWWWIAIB-UHFFFAOYSA-N
MW295.29 g/mol
LogP0.91
Rot. Bonds4

About 2-(aminomethyl)-N-[1-(trifluoromethyl)cyclopropyl]pyridine-3-sulfonamide

2-(aminomethyl)-N-[1-(trifluoromethyl)cyclopropyl]pyridine-3-sulfonamide (PubChem CID 106217438) has the molecular formula C10H12F3N3O2S and a molecular weight of 295.29 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[1-(trifluoromethyl)cyclopropyl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-[1-(trifluoromethyl)cyclopropyl]pyridine-3-sulfonamide
PubChem CID106217438
Molecular FormulaC10H12F3N3O2S
Molecular Weight295.29 g/mol
Exact Mass295.06
IUPAC Name2-(aminomethyl)-N-[1-(trifluoromethyl)cyclopropyl]pyridine-3-sulfonamide
SMILESNCc1ncccc1S(=O)(=O)NC1(C(F)(F)F)CC1
InChIInChI=1S/C10H12F3N3O2S/c11-10(12,13)9(3-4-9)16-19(17,18)8-2-1-5-15-7(8)6-14/h1-2,5,16H,3-4,6,14H2
InChIKeyKVUILPBWWWIAIB-UHFFFAOYSA-N
XLogP0.91
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.29
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[1-(trifluoromethyl)cyclopropyl]benzenesulfonamide
CID 114158366
2-(aminomethyl)-N-[(1-ethylcyclopropyl)methyl]pyridine-3-sulfonamide
CID 114099734
2-(aminomethyl)-N-(2-methylcyclopropyl)pyridine-3-sulfonamide
CID 106594415
2-(aminomethyl)-N-[(1,4-dimethylpiperidin-4-yl)methyl]pyridine-3-sulfonamide
CID 107163426
2-(aminomethyl)-N-(3,4,5-trifluorophenyl)pyridine-3-sulfonamide
CID 106594436
3-(aminomethyl)-5-methyl-N-[1-(trifluoromethyl)cyclopropyl]-1H-pyrazole-4-sulfonamide
CID 106218688
2-(aminomethyl)-N-[(2-methyloxolan-2-yl)methyl]pyridine-3-sulfonamide
CID 106594718
3-methylsulfonyl-N-[1-(trifluoromethyl)cyclopropyl]pyridin-2-amine
CID 106214723
2-(aminomethyl)-N-(4-methoxybutyl)pyridine-3-sulfonamide
CID 106594289
3-(aminomethyl)-2,5-dichloro-N-[1-(trifluoromethyl)cyclopropyl]benzenesulfonamide
CID 106218763
(3-ethylsulfonyl-2-pyridinyl)methanamine
CID 146050328
2-(aminomethyl)-N-(3-pyrrolidin-1-ylpropyl)pyridine-3-sulfonamide
CID 106594474

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[1-(trifluoromethyl)cyclopropyl]pyridine-3-sulfonamide?
The IUPAC name of 2-(aminomethyl)-N-[1-(trifluoromethyl)cyclopropyl]pyridine-3-sulfonamide (CID 106217438) is 2-(aminomethyl)-N-[1-(trifluoromethyl)cyclopropyl]pyridine-3-sulfonamide.
What is the SMILES notation for 2-(aminomethyl)-N-[1-(trifluoromethyl)cyclopropyl]pyridine-3-sulfonamide?
The canonical SMILES for 2-(aminomethyl)-N-[1-(trifluoromethyl)cyclopropyl]pyridine-3-sulfonamide is NCc1ncccc1S(=O)(=O)NC1(C(F)(F)F)CC1.
What is the InChIKey of 2-(aminomethyl)-N-[1-(trifluoromethyl)cyclopropyl]pyridine-3-sulfonamide?
The InChIKey is KVUILPBWWWIAIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N3O2S/c11-10(12,13)9(3-4-9)16-19(17,18)8-2-1-5-15-7(8)6-14/h1-2,5,16H,3-4,6,14H2.
What are the key properties of 2-(aminomethyl)-N-[1-(trifluoromethyl)cyclopropyl]pyridine-3-sulfonamide?
2-(aminomethyl)-N-[1-(trifluoromethyl)cyclopropyl]pyridine-3-sulfonamide has a molecular weight of 295.29 g/mol, XLogP of 0.91, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[1-(trifluoromethyl)cyclopropyl]pyridine-3-sulfonamide is sourced from PubChem (CID 106217438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).