tert-butyl N-[cyclohexyl-(4-methylphenyl)sulfonylmethyl]carbamate

C19H29NO4S — CID 11326090

IUPACtert-butyl N-[cyclohexyl-(4-methylphenyl)sulfonylmethyl]carbamate
SMILESCc1ccc(S(=O)(=O)C(NC(=O)OC(C)(C)C)C2CCCCC2)cc1
InChIInChI=1S/C19H29NO4S/c1-14-10-12-16(13-11-14)25(22,23)17(15-8-6-5-7-9-15)20-18(21)24-19(2,3)4/h10-13,15,17H,5-9H2,1-4H3,(H,20,21)
InChIKeyFCIPEOFBJLKKGN-UHFFFAOYSA-N
MW367.51 g/mol
LogP4.20
Rot. Bonds4

About tert-butyl N-[cyclohexyl-(4-methylphenyl)sulfonylmethyl]carbamate

tert-butyl N-[cyclohexyl-(4-methylphenyl)sulfonylmethyl]carbamate (PubChem CID 11326090) has the molecular formula C19H29NO4S and a molecular weight of 367.51 g/mol. Its IUPAC name is tert-butyl N-[cyclohexyl-(4-methylphenyl)sulfonylmethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[cyclohexyl-(4-methylphenyl)sulfonylmethyl]carbamate
PubChem CID11326090
Molecular FormulaC19H29NO4S
Molecular Weight367.51 g/mol
Exact Mass367.18
IUPAC Nametert-butyl N-[cyclohexyl-(4-methylphenyl)sulfonylmethyl]carbamate
SMILESCc1ccc(S(=O)(=O)C(NC(=O)OC(C)(C)C)C2CCCCC2)cc1
InChIInChI=1S/C19H29NO4S/c1-14-10-12-16(13-11-14)25(22,23)17(15-8-6-5-7-9-15)20-18(21)24-19(2,3)4/h10-13,15,17H,5-9H2,1-4H3,(H,20,21)
InChIKeyFCIPEOFBJLKKGN-UHFFFAOYSA-N
XLogP4.20
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.51
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-[cyclohexyl-(4-methylphenyl)sulfonylmethyl]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

N-cyclohexyl-3-(4-methylphenyl)sulfonylpropanamide
CID 759090
N-[2-(cyclohexen-1-yl)ethyl]-3-(4-methylphenyl)sulfonylpropanamide
CID 4547646
N-Boc-(tosyl)methylamine
CID 10149431
Tert-butyl cyclohexyl(phenylsulfonyl)methylcarbamate
CID 11792387
benzyl N-{1-[(4-methylphenyl)sulfonyl]heptyl}carbamate
CID 3418933
(Benzenesulfonylphenylmethyl)carbamic acid tert-butyl ester
CID 9997832
tert-butyl N-{2-[4-(chlorosulfonyl)phenyl]ethyl}carbamate
CID 137965670
tert-butyl N-[(E,2S)-4-(benzenesulfonyl)-4-fluoro-1-phenyl-3-(2-phenylethylsulfanyl)but-3-en-2-yl]carbamate
CID 44444727
tert-butyl N-[(Z,2S)-4-(benzenesulfonyl)-4-fluoro-1-phenyl-3-(2-phenylethylsulfanyl)but-3-en-2-yl]carbamate
CID 44444728
tert-butyl N-[benzenesulfonyl-(4-fluorophenyl)methyl]carbamate
CID 11152767
tert-butyl N-[benzenesulfonyl-(2-fluorophenyl)methyl]carbamate
CID 102481543
N-[alpha-(Phenylsulfonyl)-4-(trifluoromethyl)benzyl]carbamic acid tert-butyl ester
CID 45103093

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[cyclohexyl-(4-methylphenyl)sulfonylmethyl]carbamate?
The IUPAC name of tert-butyl N-[cyclohexyl-(4-methylphenyl)sulfonylmethyl]carbamate (CID 11326090) is tert-butyl N-[cyclohexyl-(4-methylphenyl)sulfonylmethyl]carbamate.
What is the SMILES notation for tert-butyl N-[cyclohexyl-(4-methylphenyl)sulfonylmethyl]carbamate?
The canonical SMILES for tert-butyl N-[cyclohexyl-(4-methylphenyl)sulfonylmethyl]carbamate is Cc1ccc(S(=O)(=O)C(NC(=O)OC(C)(C)C)C2CCCCC2)cc1.
What is the InChIKey of tert-butyl N-[cyclohexyl-(4-methylphenyl)sulfonylmethyl]carbamate?
The InChIKey is FCIPEOFBJLKKGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO4S/c1-14-10-12-16(13-11-14)25(22,23)17(15-8-6-5-7-9-15)20-18(21)24-19(2,3)4/h10-13,15,17H,5-9H2,1-4H3,(H,20,21).
What are the key properties of tert-butyl N-[cyclohexyl-(4-methylphenyl)sulfonylmethyl]carbamate?
tert-butyl N-[cyclohexyl-(4-methylphenyl)sulfonylmethyl]carbamate has a molecular weight of 367.51 g/mol, XLogP of 4.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[cyclohexyl-(4-methylphenyl)sulfonylmethyl]carbamate is sourced from PubChem (CID 11326090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).