2-(aminomethyl)-N-(2,2-difluoroethyl)piperidine-1-sulfonamide

C8H17F2N3O2S — CID 115409106

IUPAC2-(aminomethyl)-N-(2,2-difluoroethyl)piperidine-1-sulfonamide
SMILESNCC1CCCCN1S(=O)(=O)NCC(F)F
InChIInChI=1S/C8H17F2N3O2S/c9-8(10)6-12-16(14,15)13-4-2-1-3-7(13)5-11/h7-8,12H,1-6,11H2
InChIKeyDCOWXJKAWOQQNH-UHFFFAOYSA-N
MW257.31 g/mol
LogP-0.10
Rot. Bonds5

About 2-(aminomethyl)-N-(2,2-difluoroethyl)piperidine-1-sulfonamide

2-(aminomethyl)-N-(2,2-difluoroethyl)piperidine-1-sulfonamide (PubChem CID 115409106) has the molecular formula C8H17F2N3O2S and a molecular weight of 257.31 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(2,2-difluoroethyl)piperidine-1-sulfonamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(2,2-difluoroethyl)piperidine-1-sulfonamide
PubChem CID115409106
Molecular FormulaC8H17F2N3O2S
Molecular Weight257.31 g/mol
Exact Mass257.10
IUPAC Name2-(aminomethyl)-N-(2,2-difluoroethyl)piperidine-1-sulfonamide
SMILESNCC1CCCCN1S(=O)(=O)NCC(F)F
InChIInChI=1S/C8H17F2N3O2S/c9-8(10)6-12-16(14,15)13-4-2-1-3-7(13)5-11/h7-8,12H,1-6,11H2
InChIKeyDCOWXJKAWOQQNH-UHFFFAOYSA-N
XLogP-0.10
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(aminomethyl)-N-(2-methylsulfanylpropyl)piperidine-1-sulfonamide
CID 114141978
N-(2,2-difluoroethyl)-2-(propylaminomethyl)piperidine-1-sulfonamide
CID 115409161
2-(aminomethyl)-N-(4,4,4-trifluorobutyl)piperidine-1-sulfonamide
CID 115522853
2-(aminomethyl)-N-pentylpiperidine-1-sulfonamide
CID 106058322
2-(aminomethyl)-N-[2-(trifluoromethylsulfanyl)ethyl]piperidine-1-sulfonamide
CID 106433776
2-(aminomethyl)-N-(1-methylsulfanylpropan-2-yl)piperidine-1-sulfonamide
CID 106079761
2-(aminomethyl)-N-(2-methoxy-2-methylpropyl)piperidine-1-sulfonamide
CID 106080037
2-(aminomethyl)-N-[4-[methyl(propan-2-yl)amino]butyl]piperidine-1-sulfonamide
CID 106052820
2-(aminomethyl)-N-[2-(2-methoxyethoxy)ethyl]piperidine-1-sulfonamide
CID 106051256
2-(aminomethyl)-N-[2-[cyclopropyl(ethyl)amino]ethyl]piperidine-1-sulfonamide
CID 106094076
2-(aminomethyl)-N-[2-[ethyl(propyl)amino]ethyl]piperidine-1-sulfonamide
CID 106094240
2-(aminomethyl)-N-[(2-ethylphenyl)methyl]piperidine-1-sulfonamide
CID 106067849

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(2,2-difluoroethyl)piperidine-1-sulfonamide?
The IUPAC name of 2-(aminomethyl)-N-(2,2-difluoroethyl)piperidine-1-sulfonamide (CID 115409106) is 2-(aminomethyl)-N-(2,2-difluoroethyl)piperidine-1-sulfonamide.
What is the SMILES notation for 2-(aminomethyl)-N-(2,2-difluoroethyl)piperidine-1-sulfonamide?
The canonical SMILES for 2-(aminomethyl)-N-(2,2-difluoroethyl)piperidine-1-sulfonamide is NCC1CCCCN1S(=O)(=O)NCC(F)F.
What is the InChIKey of 2-(aminomethyl)-N-(2,2-difluoroethyl)piperidine-1-sulfonamide?
The InChIKey is DCOWXJKAWOQQNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17F2N3O2S/c9-8(10)6-12-16(14,15)13-4-2-1-3-7(13)5-11/h7-8,12H,1-6,11H2.
What are the key properties of 2-(aminomethyl)-N-(2,2-difluoroethyl)piperidine-1-sulfonamide?
2-(aminomethyl)-N-(2,2-difluoroethyl)piperidine-1-sulfonamide has a molecular weight of 257.31 g/mol, XLogP of -0.10, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(2,2-difluoroethyl)piperidine-1-sulfonamide is sourced from PubChem (CID 115409106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).