N-[4-amino-1-(trifluoromethyl)cyclohexyl]-2-methylpropane-2-sulfinamide

C11H21F3N2OS — CID 163296157

IUPACN-[4-amino-1-(trifluoromethyl)cyclohexyl]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)S(=O)NC1(C(F)(F)F)CCC(N)CC1
InChIInChI=1S/C11H21F3N2OS/c1-9(2,3)18(17)16-10(11(12,13)14)6-4-8(15)5-7-10/h8,16H,4-7,15H2,1-3H3
InChIKeyGCDZIKAGUPGIHP-UHFFFAOYSA-N
MW286.36 g/mol
LogP2.24
Rot. Bonds2

About N-[4-amino-1-(trifluoromethyl)cyclohexyl]-2-methylpropane-2-sulfinamide

N-[4-amino-1-(trifluoromethyl)cyclohexyl]-2-methylpropane-2-sulfinamide (PubChem CID 163296157) has the molecular formula C11H21F3N2OS and a molecular weight of 286.36 g/mol. Its IUPAC name is N-[4-amino-1-(trifluoromethyl)cyclohexyl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound NameN-[4-amino-1-(trifluoromethyl)cyclohexyl]-2-methylpropane-2-sulfinamide
PubChem CID163296157
Molecular FormulaC11H21F3N2OS
Molecular Weight286.36 g/mol
Exact Mass286.13
IUPAC NameN-[4-amino-1-(trifluoromethyl)cyclohexyl]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)S(=O)NC1(C(F)(F)F)CCC(N)CC1
InChIInChI=1S/C11H21F3N2OS/c1-9(2,3)18(17)16-10(11(12,13)14)6-4-8(15)5-7-10/h8,16H,4-7,15H2,1-3H3
InChIKeyGCDZIKAGUPGIHP-UHFFFAOYSA-N
XLogP2.24
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[4-amino-1-(trifluoromethyl)cyclohexyl]-2-methylpropane-2-sulfinamide?
The IUPAC name of N-[4-amino-1-(trifluoromethyl)cyclohexyl]-2-methylpropane-2-sulfinamide (CID 163296157) is N-[4-amino-1-(trifluoromethyl)cyclohexyl]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for N-[4-amino-1-(trifluoromethyl)cyclohexyl]-2-methylpropane-2-sulfinamide?
The canonical SMILES for N-[4-amino-1-(trifluoromethyl)cyclohexyl]-2-methylpropane-2-sulfinamide is CC(C)(C)S(=O)NC1(C(F)(F)F)CCC(N)CC1.
What is the InChIKey of N-[4-amino-1-(trifluoromethyl)cyclohexyl]-2-methylpropane-2-sulfinamide?
The InChIKey is GCDZIKAGUPGIHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3N2OS/c1-9(2,3)18(17)16-10(11(12,13)14)6-4-8(15)5-7-10/h8,16H,4-7,15H2,1-3H3.
What are the key properties of N-[4-amino-1-(trifluoromethyl)cyclohexyl]-2-methylpropane-2-sulfinamide?
N-[4-amino-1-(trifluoromethyl)cyclohexyl]-2-methylpropane-2-sulfinamide has a molecular weight of 286.36 g/mol, XLogP of 2.24, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-amino-1-(trifluoromethyl)cyclohexyl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 163296157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).