[(1S,3R)-3-(dimethylsulfamoylamino)cyclohexyl] N-phenylcarbamate

C15H23N3O4S — CID 95985836

IUPAC[(1S,3R)-3-(dimethylsulfamoylamino)cyclohexyl] N-phenylcarbamate
SMILESCN(C)S(=O)(=O)N[C@@H]1CCC[C@H](OC(=O)Nc2ccccc2)C1
InChIInChI=1S/C15H23N3O4S/c1-18(2)23(20,21)17-13-9-6-10-14(11-13)22-15(19)16-12-7-4-3-5-8-12/h3-5,7-8,13-14,17H,6,9-11H2,1-2H3,(H,16,19)/t13-,14+/m1/s1
InChIKeyVUORTDQNNOZHSK-KGLIPLIRSA-N
MW341.43 g/mol
LogP1.94
Rot. Bonds5

About [(1S,3R)-3-(dimethylsulfamoylamino)cyclohexyl] N-phenylcarbamate

[(1S,3R)-3-(dimethylsulfamoylamino)cyclohexyl] N-phenylcarbamate (PubChem CID 95985836) has the molecular formula C15H23N3O4S and a molecular weight of 341.43 g/mol. Its IUPAC name is [(1S,3R)-3-(dimethylsulfamoylamino)cyclohexyl] N-phenylcarbamate.

Molecular Properties

Compound Name[(1S,3R)-3-(dimethylsulfamoylamino)cyclohexyl] N-phenylcarbamate
PubChem CID95985836
Molecular FormulaC15H23N3O4S
Molecular Weight341.43 g/mol
Exact Mass341.14
IUPAC Name[(1S,3R)-3-(dimethylsulfamoylamino)cyclohexyl] N-phenylcarbamate
SMILESCN(C)S(=O)(=O)N[C@@H]1CCC[C@H](OC(=O)Nc2ccccc2)C1
InChIInChI=1S/C15H23N3O4S/c1-18(2)23(20,21)17-13-9-6-10-14(11-13)22-15(19)16-12-7-4-3-5-8-12/h3-5,7-8,13-14,17H,6,9-11H2,1-2H3,(H,16,19)/t13-,14+/m1/s1
InChIKeyVUORTDQNNOZHSK-KGLIPLIRSA-N
XLogP1.94
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.43
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[(1R,3S)-3-(dimethylsulfamoylamino)cyclohexyl] N-phenylcarbamate
CID 95985839
[(1S,3R)-3-(phenylcarbamoyloxy)cyclohexyl] N-phenylcarbamate
CID 139079563
[3-[(2,5-dimethylphenyl)sulfonylamino]cyclohexyl] N-phenylcarbamate
CID 71794310
[(1S,3S)-3-(3-phenylpropanoylamino)cyclohexyl] N-phenylcarbamate
CID 95985789
[(1S,3R)-3-[[2-(4-fluorophenyl)acetyl]amino]cyclohexyl] N-phenylcarbamate
CID 95985787
[3-[(2,3-dimethoxyphenyl)carbamoylamino]cyclohexyl] N-phenylcarbamate
CID 71794297
[3-(thiophen-2-ylmethylcarbamoylamino)cyclohexyl] N-phenylcarbamate
CID 71794298
[3-[3-(3,4-dimethoxyphenyl)prop-2-enoylamino]cyclohexyl] N-phenylcarbamate
CID 71960595
[(3Z)-cyclooct-3-en-1-yl] N-phenylcarbamate
CID 5381423
[(1S,4R,8R)-9-oxabicyclo[6.1.0]nonan-4-yl] N-phenylcarbamate
CID 94036960
(3,5-dimethylcyclohexyl) N-phenylcarbamate
CID 58534443
[(1R,3S)-3-[[(2S)-2-phenoxypropanoyl]amino]cyclohexyl] N-(4-fluorophenyl)carbamate
CID 98766114

Frequently Asked Questions

What is the IUPAC name of [(1S,3R)-3-(dimethylsulfamoylamino)cyclohexyl] N-phenylcarbamate?
The IUPAC name of [(1S,3R)-3-(dimethylsulfamoylamino)cyclohexyl] N-phenylcarbamate (CID 95985836) is [(1S,3R)-3-(dimethylsulfamoylamino)cyclohexyl] N-phenylcarbamate.
What is the SMILES notation for [(1S,3R)-3-(dimethylsulfamoylamino)cyclohexyl] N-phenylcarbamate?
The canonical SMILES for [(1S,3R)-3-(dimethylsulfamoylamino)cyclohexyl] N-phenylcarbamate is CN(C)S(=O)(=O)N[C@@H]1CCC[C@H](OC(=O)Nc2ccccc2)C1.
What is the InChIKey of [(1S,3R)-3-(dimethylsulfamoylamino)cyclohexyl] N-phenylcarbamate?
The InChIKey is VUORTDQNNOZHSK-KGLIPLIRSA-N. The full InChI is InChI=1S/C15H23N3O4S/c1-18(2)23(20,21)17-13-9-6-10-14(11-13)22-15(19)16-12-7-4-3-5-8-12/h3-5,7-8,13-14,17H,6,9-11H2,1-2H3,(H,16,19)/t13-,14+/m1/s1.
What are the key properties of [(1S,3R)-3-(dimethylsulfamoylamino)cyclohexyl] N-phenylcarbamate?
[(1S,3R)-3-(dimethylsulfamoylamino)cyclohexyl] N-phenylcarbamate has a molecular weight of 341.43 g/mol, XLogP of 1.94, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,3R)-3-(dimethylsulfamoylamino)cyclohexyl] N-phenylcarbamate is sourced from PubChem (CID 95985836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).