tert-butyl N-[4-(3,3,3-trifluoropropylsulfonylamino)cyclohexyl]carbamate

C14H25F3N2O4S — CID 169495134

IUPACtert-butyl N-[4-(3,3,3-trifluoropropylsulfonylamino)cyclohexyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCC(NS(=O)(=O)CCC(F)(F)F)CC1
InChIInChI=1S/C14H25F3N2O4S/c1-13(2,3)23-12(20)18-10-4-6-11(7-5-10)19-24(21,22)9-8-14(15,16)17/h10-11,19H,4-9H2,1-3H3,(H,18,20)
InChIKeyDVOLSVYSRFUWEE-UHFFFAOYSA-N
MW374.43 g/mol
LogP2.69
Rot. Bonds5

About tert-butyl N-[4-(3,3,3-trifluoropropylsulfonylamino)cyclohexyl]carbamate

tert-butyl N-[4-(3,3,3-trifluoropropylsulfonylamino)cyclohexyl]carbamate (PubChem CID 169495134) has the molecular formula C14H25F3N2O4S and a molecular weight of 374.43 g/mol. Its IUPAC name is tert-butyl N-[4-(3,3,3-trifluoropropylsulfonylamino)cyclohexyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-(3,3,3-trifluoropropylsulfonylamino)cyclohexyl]carbamate
PubChem CID169495134
Molecular FormulaC14H25F3N2O4S
Molecular Weight374.43 g/mol
Exact Mass374.15
IUPAC Nametert-butyl N-[4-(3,3,3-trifluoropropylsulfonylamino)cyclohexyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCC(NS(=O)(=O)CCC(F)(F)F)CC1
InChIInChI=1S/C14H25F3N2O4S/c1-13(2,3)23-12(20)18-10-4-6-11(7-5-10)19-24(21,22)9-8-14(15,16)17/h10-11,19H,4-9H2,1-3H3,(H,18,20)
InChIKeyDVOLSVYSRFUWEE-UHFFFAOYSA-N
XLogP2.69
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.43
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]ethanesulfonic acid
CID 91444664
tert-butyl N-[4-[[N'-methyl-N-(3,3,3-trifluoropropyl)carbamimidoyl]amino]cyclohexyl]carbamate
CID 111994437
[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]azanium
CID 7021549
tert-butyl N-[3-(4,4,4-trifluorobutylamino)cyclopentyl]carbamate
CID 115516381
tert-butyl N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]carbamate
CID 22562166
tert-butyl N-(4-arsanylcyclohexyl)carbamate
CID 173124516
tert-butyl N-[4-(tert-butylamino)cyclohexyl]carbamate
CID 69286066
tert-butyl N-[(3R)-3-(2,2,2-trifluoroethylamino)cyclopentyl]carbamate;molecular hydrogen
CID 158239331
tert-butyl N-[4-(3,3-dimethylbutanoylamino)cyclohexyl]carbamate
CID 86277406
tert-butyl N-[4-[(3-amino-2-hydroxy-3-oxopropyl)amino]cyclohexyl]carbamate
CID 106171656
tert-butyl N-[3-(2,2,2-trifluoroethylcarbamoyl)cyclopentyl]carbamate
CID 71991481
tert-butyl N-[4-[methyl(2-methylsulfonylethyl)amino]cyclohexyl]carbamate
CID 126578176

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-(3,3,3-trifluoropropylsulfonylamino)cyclohexyl]carbamate?
The IUPAC name of tert-butyl N-[4-(3,3,3-trifluoropropylsulfonylamino)cyclohexyl]carbamate (CID 169495134) is tert-butyl N-[4-(3,3,3-trifluoropropylsulfonylamino)cyclohexyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-(3,3,3-trifluoropropylsulfonylamino)cyclohexyl]carbamate?
The canonical SMILES for tert-butyl N-[4-(3,3,3-trifluoropropylsulfonylamino)cyclohexyl]carbamate is CC(C)(C)OC(=O)NC1CCC(NS(=O)(=O)CCC(F)(F)F)CC1.
What is the InChIKey of tert-butyl N-[4-(3,3,3-trifluoropropylsulfonylamino)cyclohexyl]carbamate?
The InChIKey is DVOLSVYSRFUWEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25F3N2O4S/c1-13(2,3)23-12(20)18-10-4-6-11(7-5-10)19-24(21,22)9-8-14(15,16)17/h10-11,19H,4-9H2,1-3H3,(H,18,20).
What are the key properties of tert-butyl N-[4-(3,3,3-trifluoropropylsulfonylamino)cyclohexyl]carbamate?
tert-butyl N-[4-(3,3,3-trifluoropropylsulfonylamino)cyclohexyl]carbamate has a molecular weight of 374.43 g/mol, XLogP of 2.69, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-(3,3,3-trifluoropropylsulfonylamino)cyclohexyl]carbamate is sourced from PubChem (CID 169495134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).