tert-butyl N-[4-[methyl(2-methylsulfonylethyl)amino]cyclohexyl]carbamate

C15H30N2O4S — CID 126578176

IUPACtert-butyl N-[4-[methyl(2-methylsulfonylethyl)amino]cyclohexyl]carbamate
SMILESCN(CCS(C)(=O)=O)C1CCC(NC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C15H30N2O4S/c1-15(2,3)21-14(18)16-12-6-8-13(9-7-12)17(4)10-11-22(5,19)20/h12-13H,6-11H2,1-5H3,(H,16,18)
InChIKeyXMUNOHFYMFBBKL-UHFFFAOYSA-N
MW334.48 g/mol
LogP1.80
Rot. Bonds5

About tert-butyl N-[4-[methyl(2-methylsulfonylethyl)amino]cyclohexyl]carbamate

tert-butyl N-[4-[methyl(2-methylsulfonylethyl)amino]cyclohexyl]carbamate (PubChem CID 126578176) has the molecular formula C15H30N2O4S and a molecular weight of 334.48 g/mol. Its IUPAC name is tert-butyl N-[4-[methyl(2-methylsulfonylethyl)amino]cyclohexyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-[methyl(2-methylsulfonylethyl)amino]cyclohexyl]carbamate
PubChem CID126578176
Molecular FormulaC15H30N2O4S
Molecular Weight334.48 g/mol
Exact Mass334.19
IUPAC Nametert-butyl N-[4-[methyl(2-methylsulfonylethyl)amino]cyclohexyl]carbamate
SMILESCN(CCS(C)(=O)=O)C1CCC(NC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C15H30N2O4S/c1-15(2,3)21-14(18)16-12-6-8-13(9-7-12)17(4)10-11-22(5,19)20/h12-13H,6-11H2,1-5H3,(H,16,18)
InChIKeyXMUNOHFYMFBBKL-UHFFFAOYSA-N
XLogP1.80
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.48
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze tert-butyl N-[4-[methyl(2-methylsulfonylethyl)amino]cyclohexyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]ethanesulfonic acid
CID 91444664
tert-butyl N-[4-[carbamothioyl(methyl)amino]cyclohexyl]carbamate
CID 141083473
[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]azanium
CID 7021549
tert-butyl N-[4-[2-[ethyl(methyl)amino]ethylamino]cyclohexyl]carbamate
CID 79114724
tert-butyl N-[4-[(2-chloroacetyl)-ethylamino]cyclohexyl]carbamate
CID 66564667
tert-butyl N-[4-(tert-butylamino)cyclohexyl]carbamate
CID 69286066
tert-butyl N-(4-arsanylcyclohexyl)carbamate
CID 173124516
tert-butyl N-[3-[2-(dimethylamino)ethyl]cyclopentyl]carbamate
CID 163374886
tert-butyl N-[4-(3,3,3-trifluoropropylsulfonylamino)cyclohexyl]carbamate
CID 169495134
tert-butyl N-[4-(3,3-dimethylbutanoylamino)cyclohexyl]carbamate
CID 86277406
benzyl N-methyl-N-[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]carbamate
CID 91361033
tert-butyl N-[(3S,6S)-1-(3-methylsulfonylpropyl)-6-(trifluoromethyl)piperidin-3-yl]carbamate
CID 97341418

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-[methyl(2-methylsulfonylethyl)amino]cyclohexyl]carbamate?
The IUPAC name of tert-butyl N-[4-[methyl(2-methylsulfonylethyl)amino]cyclohexyl]carbamate (CID 126578176) is tert-butyl N-[4-[methyl(2-methylsulfonylethyl)amino]cyclohexyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-[methyl(2-methylsulfonylethyl)amino]cyclohexyl]carbamate?
The canonical SMILES for tert-butyl N-[4-[methyl(2-methylsulfonylethyl)amino]cyclohexyl]carbamate is CN(CCS(C)(=O)=O)C1CCC(NC(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl N-[4-[methyl(2-methylsulfonylethyl)amino]cyclohexyl]carbamate?
The InChIKey is XMUNOHFYMFBBKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O4S/c1-15(2,3)21-14(18)16-12-6-8-13(9-7-12)17(4)10-11-22(5,19)20/h12-13H,6-11H2,1-5H3,(H,16,18).
What are the key properties of tert-butyl N-[4-[methyl(2-methylsulfonylethyl)amino]cyclohexyl]carbamate?
tert-butyl N-[4-[methyl(2-methylsulfonylethyl)amino]cyclohexyl]carbamate has a molecular weight of 334.48 g/mol, XLogP of 1.80, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-[methyl(2-methylsulfonylethyl)amino]cyclohexyl]carbamate is sourced from PubChem (CID 126578176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).