N-(3,3-difluoro-2-hydroxypropyl)-1-methylsulfonylpiperidine-4-carboxamide

C10H18F2N2O4S — CID 103770252

IUPACN-(3,3-difluoro-2-hydroxypropyl)-1-methylsulfonylpiperidine-4-carboxamide
SMILESCS(=O)(=O)N1CCC(C(=O)NCC(O)C(F)F)CC1
InChIInChI=1S/C10H18F2N2O4S/c1-19(17,18)14-4-2-7(3-5-14)10(16)13-6-8(15)9(11)12/h7-9,15H,2-6H2,1H3,(H,13,16)
InChIKeyOVVXNFSOQGMNIV-UHFFFAOYSA-N
MW300.33 g/mol
LogP-0.60
Rot. Bonds5

About N-(3,3-difluoro-2-hydroxypropyl)-1-methylsulfonylpiperidine-4-carboxamide

N-(3,3-difluoro-2-hydroxypropyl)-1-methylsulfonylpiperidine-4-carboxamide (PubChem CID 103770252) has the molecular formula C10H18F2N2O4S and a molecular weight of 300.33 g/mol. Its IUPAC name is N-(3,3-difluoro-2-hydroxypropyl)-1-methylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3,3-difluoro-2-hydroxypropyl)-1-methylsulfonylpiperidine-4-carboxamide
PubChem CID103770252
Molecular FormulaC10H18F2N2O4S
Molecular Weight300.33 g/mol
Exact Mass300.10
IUPAC NameN-(3,3-difluoro-2-hydroxypropyl)-1-methylsulfonylpiperidine-4-carboxamide
SMILESCS(=O)(=O)N1CCC(C(=O)NCC(O)C(F)F)CC1
InChIInChI=1S/C10H18F2N2O4S/c1-19(17,18)14-4-2-7(3-5-14)10(16)13-6-8(15)9(11)12/h7-9,15H,2-6H2,1H3,(H,13,16)
InChIKeyOVVXNFSOQGMNIV-UHFFFAOYSA-N
XLogP-0.60
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.33
LogP ≤ 5-0.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3,3-difluoro-2-hydroxypropyl)-1-methylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-(3,3-difluoro-2-hydroxypropyl)-1-methylsulfonylpiperidine-4-carboxamide (CID 103770252) is N-(3,3-difluoro-2-hydroxypropyl)-1-methylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-(3,3-difluoro-2-hydroxypropyl)-1-methylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-(3,3-difluoro-2-hydroxypropyl)-1-methylsulfonylpiperidine-4-carboxamide is CS(=O)(=O)N1CCC(C(=O)NCC(O)C(F)F)CC1.
What is the InChIKey of N-(3,3-difluoro-2-hydroxypropyl)-1-methylsulfonylpiperidine-4-carboxamide?
The InChIKey is OVVXNFSOQGMNIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F2N2O4S/c1-19(17,18)14-4-2-7(3-5-14)10(16)13-6-8(15)9(11)12/h7-9,15H,2-6H2,1H3,(H,13,16).
What are the key properties of N-(3,3-difluoro-2-hydroxypropyl)-1-methylsulfonylpiperidine-4-carboxamide?
N-(3,3-difluoro-2-hydroxypropyl)-1-methylsulfonylpiperidine-4-carboxamide has a molecular weight of 300.33 g/mol, XLogP of -0.60, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-difluoro-2-hydroxypropyl)-1-methylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 103770252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).