tert-butyl N-(benzenesulfonyl)carbamate;methylcyclohexane

C18H29NO4S — CID 175359448

IUPACtert-butyl N-(benzenesulfonyl)carbamate;methylcyclohexane
SMILESCC(C)(C)OC(=O)NS(=O)(=O)c1ccccc1.CC1CCCCC1
InChIInChI=1S/C11H15NO4S.C7H14/c1-11(2,3)16-10(13)12-17(14,15)9-7-5-4-6-8-9;1-7-5-3-2-4-6-7/h4-8H,1-3H3,(H,12,13);7H,2-6H2,1H3
InChIKeyPTJVVCBFNNTSFX-UHFFFAOYSA-N
MW355.50 g/mol
LogP4.49
Rot. Bonds2

About tert-butyl N-(benzenesulfonyl)carbamate;methylcyclohexane

tert-butyl N-(benzenesulfonyl)carbamate;methylcyclohexane (PubChem CID 175359448) has the molecular formula C18H29NO4S and a molecular weight of 355.50 g/mol. Its IUPAC name is tert-butyl N-(benzenesulfonyl)carbamate;methylcyclohexane.

Molecular Properties

Compound Nametert-butyl N-(benzenesulfonyl)carbamate;methylcyclohexane
PubChem CID175359448
Molecular FormulaC18H29NO4S
Molecular Weight355.50 g/mol
Exact Mass355.18
IUPAC Nametert-butyl N-(benzenesulfonyl)carbamate;methylcyclohexane
SMILESCC(C)(C)OC(=O)NS(=O)(=O)c1ccccc1.CC1CCCCC1
InChIInChI=1S/C11H15NO4S.C7H14/c1-11(2,3)16-10(13)12-17(14,15)9-7-5-4-6-8-9;1-7-5-3-2-4-6-7/h4-8H,1-3H3,(H,12,13);7H,2-6H2,1H3
InChIKeyPTJVVCBFNNTSFX-UHFFFAOYSA-N
XLogP4.49
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.50
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-(benzenesulfonyl)carbamate;methylcyclohexane 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

methyl N-(benzenesulfonyl)carbamate
CID 676519
tert-butyl N-(4-formylphenyl)sulfonylcarbamate
CID 146669883
(2-methylpropan-2-yl)oxy N-(benzenesulfonyl)carbamoperoxoate
CID 139797591
tert-butyl N-[2-(cycloheptylamino)phenyl]carbamate
CID 107240278
tert-butyl N-[1-(benzenesulfonyl)indol-3-yl]sulfonylcarbamate
CID 163284603
N-(benzenesulfonyl)benzenesulfonamide;tert-butyl pyrrolidine-2-carboxylate
CID 74764862
tert-butyl N-(4-pyrazol-1-ylphenyl)sulfonylcarbamate
CID 58292272
tert-butyl N-[1-(benzenesulfonyl)piperidin-4-yl]carbamate
CID 46318295
tert-butyl N-[2-(cycloheptylmethylamino)phenyl]carbamate
CID 107240333
tert-butyl N-[1-[4-(cyclononylsulfamoyl)phenyl]piperidin-4-yl]carbamate
CID 163841745
tert-butyl N-[(2R)-1-(benzenesulfonyl)-3-[(2S)-oxan-2-yl]oxypropan-2-yl]carbamate
CID 7157076
N-(benzenesulfonyl)-2,2,3-trimethylbutanamide
CID 69481639

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(benzenesulfonyl)carbamate;methylcyclohexane?
The IUPAC name of tert-butyl N-(benzenesulfonyl)carbamate;methylcyclohexane (CID 175359448) is tert-butyl N-(benzenesulfonyl)carbamate;methylcyclohexane.
What is the SMILES notation for tert-butyl N-(benzenesulfonyl)carbamate;methylcyclohexane?
The canonical SMILES for tert-butyl N-(benzenesulfonyl)carbamate;methylcyclohexane is CC(C)(C)OC(=O)NS(=O)(=O)c1ccccc1.CC1CCCCC1.
What is the InChIKey of tert-butyl N-(benzenesulfonyl)carbamate;methylcyclohexane?
The InChIKey is PTJVVCBFNNTSFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO4S.C7H14/c1-11(2,3)16-10(13)12-17(14,15)9-7-5-4-6-8-9;1-7-5-3-2-4-6-7/h4-8H,1-3H3,(H,12,13);7H,2-6H2,1H3.
What are the key properties of tert-butyl N-(benzenesulfonyl)carbamate;methylcyclohexane?
tert-butyl N-(benzenesulfonyl)carbamate;methylcyclohexane has a molecular weight of 355.50 g/mol, XLogP of 4.49, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(benzenesulfonyl)carbamate;methylcyclohexane is sourced from PubChem (CID 175359448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).