tert-butyl N-[1-[4-(dimethylsulfamoyl)cyclohexyl]-2-methylpropan-2-yl]carbamate

C17H34N2O4S — CID 171784798

IUPACtert-butyl N-[1-[4-(dimethylsulfamoyl)cyclohexyl]-2-methylpropan-2-yl]carbamate
SMILESCN(C)S(=O)(=O)C1CCC(CC(C)(C)NC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C17H34N2O4S/c1-16(2,3)23-15(20)18-17(4,5)12-13-8-10-14(11-9-13)24(21,22)19(6)7/h13-14H,8-12H2,1-7H3,(H,18,20)
InChIKeyRLHCEXOYYZTRET-UHFFFAOYSA-N
MW362.54 g/mol
LogP3.13
Rot. Bonds5

About tert-butyl N-[1-[4-(dimethylsulfamoyl)cyclohexyl]-2-methylpropan-2-yl]carbamate

tert-butyl N-[1-[4-(dimethylsulfamoyl)cyclohexyl]-2-methylpropan-2-yl]carbamate (PubChem CID 171784798) has the molecular formula C17H34N2O4S and a molecular weight of 362.54 g/mol. Its IUPAC name is tert-butyl N-[1-[4-(dimethylsulfamoyl)cyclohexyl]-2-methylpropan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[4-(dimethylsulfamoyl)cyclohexyl]-2-methylpropan-2-yl]carbamate
PubChem CID171784798
Molecular FormulaC17H34N2O4S
Molecular Weight362.54 g/mol
Exact Mass362.22
IUPAC Nametert-butyl N-[1-[4-(dimethylsulfamoyl)cyclohexyl]-2-methylpropan-2-yl]carbamate
SMILESCN(C)S(=O)(=O)C1CCC(CC(C)(C)NC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C17H34N2O4S/c1-16(2,3)23-15(20)18-17(4,5)12-13-8-10-14(11-9-13)24(21,22)19(6)7/h13-14H,8-12H2,1-7H3,(H,18,20)
InChIKeyRLHCEXOYYZTRET-UHFFFAOYSA-N
XLogP3.13
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.54
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-(1-amino-3-cyclopropyl-2-methylpropan-2-yl)carbamate
CID 84726052
tert-butyl N-[2-methyl-1-[(4-methylcyclohexyl)methylamino]propan-2-yl]carbamate
CID 107249903
tert-butyl N-(1-cyclopropyl-2-methyl-3-methyliminopropan-2-yl)carbamate
CID 123215862
tert-butyl N-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclohexyl]methyl]carbamate
CID 22668023
tert-butyl N-(1-cyclopentyl-2-methyl-3-oxopropan-2-yl)carbamate
CID 84729309
2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]ethanesulfonic acid
CID 91444664
2,2-bis(cyclopropylmethyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 106490227
[(2-methylpropan-2-yl)oxycarbonylamino] 2-cyclopropylethanesulfonate
CID 175126419
tert-butyl N-[1-[(4-ethylcycloheptyl)amino]-2-methylpropan-2-yl]carbamate
CID 107249963
tert-butyl N-(cyclopropylmethylamino)carbamate
CID 67491579
tert-butyl N-(1-amino-2-methylpropan-2-yl)carbamate;hydrochloride
CID 45072479
2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(4-oxocyclohexyl)propanoic acid
CID 68713434

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[4-(dimethylsulfamoyl)cyclohexyl]-2-methylpropan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[1-[4-(dimethylsulfamoyl)cyclohexyl]-2-methylpropan-2-yl]carbamate (CID 171784798) is tert-butyl N-[1-[4-(dimethylsulfamoyl)cyclohexyl]-2-methylpropan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[4-(dimethylsulfamoyl)cyclohexyl]-2-methylpropan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-[4-(dimethylsulfamoyl)cyclohexyl]-2-methylpropan-2-yl]carbamate is CN(C)S(=O)(=O)C1CCC(CC(C)(C)NC(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl N-[1-[4-(dimethylsulfamoyl)cyclohexyl]-2-methylpropan-2-yl]carbamate?
The InChIKey is RLHCEXOYYZTRET-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O4S/c1-16(2,3)23-15(20)18-17(4,5)12-13-8-10-14(11-9-13)24(21,22)19(6)7/h13-14H,8-12H2,1-7H3,(H,18,20).
What are the key properties of tert-butyl N-[1-[4-(dimethylsulfamoyl)cyclohexyl]-2-methylpropan-2-yl]carbamate?
tert-butyl N-[1-[4-(dimethylsulfamoyl)cyclohexyl]-2-methylpropan-2-yl]carbamate has a molecular weight of 362.54 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[4-(dimethylsulfamoyl)cyclohexyl]-2-methylpropan-2-yl]carbamate is sourced from PubChem (CID 171784798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).