N-(3,3-difluoro-2-hydroxypropyl)-2-methylpiperidine-1-sulfonamide

C9H18F2N2O3S — CID 103836801

IUPACN-(3,3-difluoro-2-hydroxypropyl)-2-methylpiperidine-1-sulfonamide
SMILESCC1CCCCN1S(=O)(=O)NCC(O)C(F)F
InChIInChI=1S/C9H18F2N2O3S/c1-7-4-2-3-5-13(7)17(15,16)12-6-8(14)9(10)11/h7-9,12,14H,2-6H2,1H3
InChIKeyNTHGKSBXZGODLF-UHFFFAOYSA-N
MW272.32 g/mol
LogP0.32
Rot. Bonds5

About N-(3,3-difluoro-2-hydroxypropyl)-2-methylpiperidine-1-sulfonamide

N-(3,3-difluoro-2-hydroxypropyl)-2-methylpiperidine-1-sulfonamide (PubChem CID 103836801) has the molecular formula C9H18F2N2O3S and a molecular weight of 272.32 g/mol. Its IUPAC name is N-(3,3-difluoro-2-hydroxypropyl)-2-methylpiperidine-1-sulfonamide.

Molecular Properties

Compound NameN-(3,3-difluoro-2-hydroxypropyl)-2-methylpiperidine-1-sulfonamide
PubChem CID103836801
Molecular FormulaC9H18F2N2O3S
Molecular Weight272.32 g/mol
Exact Mass272.10
IUPAC NameN-(3,3-difluoro-2-hydroxypropyl)-2-methylpiperidine-1-sulfonamide
SMILESCC1CCCCN1S(=O)(=O)NCC(O)C(F)F
InChIInChI=1S/C9H18F2N2O3S/c1-7-4-2-3-5-13(7)17(15,16)12-6-8(14)9(10)11/h7-9,12,14H,2-6H2,1H3
InChIKeyNTHGKSBXZGODLF-UHFFFAOYSA-N
XLogP0.32
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.32
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3,3-difluoro-2-hydroxypropyl)-2-methylpiperidine-1-sulfonamide?
The IUPAC name of N-(3,3-difluoro-2-hydroxypropyl)-2-methylpiperidine-1-sulfonamide (CID 103836801) is N-(3,3-difluoro-2-hydroxypropyl)-2-methylpiperidine-1-sulfonamide.
What is the SMILES notation for N-(3,3-difluoro-2-hydroxypropyl)-2-methylpiperidine-1-sulfonamide?
The canonical SMILES for N-(3,3-difluoro-2-hydroxypropyl)-2-methylpiperidine-1-sulfonamide is CC1CCCCN1S(=O)(=O)NCC(O)C(F)F.
What is the InChIKey of N-(3,3-difluoro-2-hydroxypropyl)-2-methylpiperidine-1-sulfonamide?
The InChIKey is NTHGKSBXZGODLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F2N2O3S/c1-7-4-2-3-5-13(7)17(15,16)12-6-8(14)9(10)11/h7-9,12,14H,2-6H2,1H3.
What are the key properties of N-(3,3-difluoro-2-hydroxypropyl)-2-methylpiperidine-1-sulfonamide?
N-(3,3-difluoro-2-hydroxypropyl)-2-methylpiperidine-1-sulfonamide has a molecular weight of 272.32 g/mol, XLogP of 0.32, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-difluoro-2-hydroxypropyl)-2-methylpiperidine-1-sulfonamide is sourced from PubChem (CID 103836801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).