2-(methanesulfonamidomethyl)-N-[1-(trifluoromethyl)cyclopropyl]piperidine-1-carboxamide

C12H20F3N3O3S — CID 138026276

IUPAC2-(methanesulfonamidomethyl)-N-[1-(trifluoromethyl)cyclopropyl]piperidine-1-carboxamide
SMILESCS(=O)(=O)NCC1CCCCN1C(=O)NC1(C(F)(F)F)CC1
InChIInChI=1S/C12H20F3N3O3S/c1-22(20,21)16-8-9-4-2-3-7-18(9)10(19)17-11(5-6-11)12(13,14)15/h9,16H,2-8H2,1H3,(H,17,19)
InChIKeyJXUCAUQFUIAHHC-UHFFFAOYSA-N
MW343.37 g/mol
LogP1.19
Rot. Bonds4

About 2-(methanesulfonamidomethyl)-N-[1-(trifluoromethyl)cyclopropyl]piperidine-1-carboxamide

2-(methanesulfonamidomethyl)-N-[1-(trifluoromethyl)cyclopropyl]piperidine-1-carboxamide (PubChem CID 138026276) has the molecular formula C12H20F3N3O3S and a molecular weight of 343.37 g/mol. Its IUPAC name is 2-(methanesulfonamidomethyl)-N-[1-(trifluoromethyl)cyclopropyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name2-(methanesulfonamidomethyl)-N-[1-(trifluoromethyl)cyclopropyl]piperidine-1-carboxamide
PubChem CID138026276
Molecular FormulaC12H20F3N3O3S
Molecular Weight343.37 g/mol
Exact Mass343.12
IUPAC Name2-(methanesulfonamidomethyl)-N-[1-(trifluoromethyl)cyclopropyl]piperidine-1-carboxamide
SMILESCS(=O)(=O)NCC1CCCCN1C(=O)NC1(C(F)(F)F)CC1
InChIInChI=1S/C12H20F3N3O3S/c1-22(20,21)16-8-9-4-2-3-7-18(9)10(19)17-11(5-6-11)12(13,14)15/h9,16H,2-8H2,1H3,(H,17,19)
InChIKeyJXUCAUQFUIAHHC-UHFFFAOYSA-N
XLogP1.19
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.37
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(methanesulfonamidomethyl)-N-[1-(trifluoromethyl)cyclopropyl]piperidine-1-carboxamide?
The IUPAC name of 2-(methanesulfonamidomethyl)-N-[1-(trifluoromethyl)cyclopropyl]piperidine-1-carboxamide (CID 138026276) is 2-(methanesulfonamidomethyl)-N-[1-(trifluoromethyl)cyclopropyl]piperidine-1-carboxamide.
What is the SMILES notation for 2-(methanesulfonamidomethyl)-N-[1-(trifluoromethyl)cyclopropyl]piperidine-1-carboxamide?
The canonical SMILES for 2-(methanesulfonamidomethyl)-N-[1-(trifluoromethyl)cyclopropyl]piperidine-1-carboxamide is CS(=O)(=O)NCC1CCCCN1C(=O)NC1(C(F)(F)F)CC1.
What is the InChIKey of 2-(methanesulfonamidomethyl)-N-[1-(trifluoromethyl)cyclopropyl]piperidine-1-carboxamide?
The InChIKey is JXUCAUQFUIAHHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3N3O3S/c1-22(20,21)16-8-9-4-2-3-7-18(9)10(19)17-11(5-6-11)12(13,14)15/h9,16H,2-8H2,1H3,(H,17,19).
What are the key properties of 2-(methanesulfonamidomethyl)-N-[1-(trifluoromethyl)cyclopropyl]piperidine-1-carboxamide?
2-(methanesulfonamidomethyl)-N-[1-(trifluoromethyl)cyclopropyl]piperidine-1-carboxamide has a molecular weight of 343.37 g/mol, XLogP of 1.19, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methanesulfonamidomethyl)-N-[1-(trifluoromethyl)cyclopropyl]piperidine-1-carboxamide is sourced from PubChem (CID 138026276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).