N-[1-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]cyclopropyl]ethyl]-2-methylpropane-2-sulfinamide

C15H20ClF3N2OS — CID 71559280

IUPACN-[1-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]cyclopropyl]ethyl]-2-methylpropane-2-sulfinamide
SMILESCC(NS(=O)C(C)(C)C)C1(c2ncc(C(F)(F)F)cc2Cl)CC1
InChIInChI=1S/C15H20ClF3N2OS/c1-9(21-23(22)13(2,3)4)14(5-6-14)12-11(16)7-10(8-20-12)15(17,18)19/h7-9,21H,5-6H2,1-4H3
InChIKeyUHTREVKGSYADLA-UHFFFAOYSA-N
MW368.85 g/mol
LogP4.23
Rot. Bonds4

About N-[1-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]cyclopropyl]ethyl]-2-methylpropane-2-sulfinamide

N-[1-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]cyclopropyl]ethyl]-2-methylpropane-2-sulfinamide (PubChem CID 71559280) has the molecular formula C15H20ClF3N2OS and a molecular weight of 368.85 g/mol. Its IUPAC name is N-[1-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]cyclopropyl]ethyl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound NameN-[1-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]cyclopropyl]ethyl]-2-methylpropane-2-sulfinamide
PubChem CID71559280
Molecular FormulaC15H20ClF3N2OS
Molecular Weight368.85 g/mol
Exact Mass368.09
IUPAC NameN-[1-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]cyclopropyl]ethyl]-2-methylpropane-2-sulfinamide
SMILESCC(NS(=O)C(C)(C)C)C1(c2ncc(C(F)(F)F)cc2Cl)CC1
InChIInChI=1S/C15H20ClF3N2OS/c1-9(21-23(22)13(2,3)4)14(5-6-14)12-11(16)7-10(8-20-12)15(17,18)19/h7-9,21H,5-6H2,1-4H3
InChIKeyUHTREVKGSYADLA-UHFFFAOYSA-N
XLogP4.23
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.85
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[1-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]cyclopropyl]ethyl]-2-methylpropane-2-sulfinamide?
The IUPAC name of N-[1-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]cyclopropyl]ethyl]-2-methylpropane-2-sulfinamide (CID 71559280) is N-[1-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]cyclopropyl]ethyl]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for N-[1-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]cyclopropyl]ethyl]-2-methylpropane-2-sulfinamide?
The canonical SMILES for N-[1-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]cyclopropyl]ethyl]-2-methylpropane-2-sulfinamide is CC(NS(=O)C(C)(C)C)C1(c2ncc(C(F)(F)F)cc2Cl)CC1.
What is the InChIKey of N-[1-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]cyclopropyl]ethyl]-2-methylpropane-2-sulfinamide?
The InChIKey is UHTREVKGSYADLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClF3N2OS/c1-9(21-23(22)13(2,3)4)14(5-6-14)12-11(16)7-10(8-20-12)15(17,18)19/h7-9,21H,5-6H2,1-4H3.
What are the key properties of N-[1-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]cyclopropyl]ethyl]-2-methylpropane-2-sulfinamide?
N-[1-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]cyclopropyl]ethyl]-2-methylpropane-2-sulfinamide has a molecular weight of 368.85 g/mol, XLogP of 4.23, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]cyclopropyl]ethyl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 71559280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).