(1-cyclohexylsulfonylcyclohexyl)carbamic acid

C13H23NO4S — CID 157352651

IUPAC(1-cyclohexylsulfonylcyclohexyl)carbamic acid
SMILESO=C(O)NC1(S(=O)(=O)C2CCCCC2)CCCCC1
InChIInChI=1S/C13H23NO4S/c15-12(16)14-13(9-5-2-6-10-13)19(17,18)11-7-3-1-4-8-11/h11,14H,1-10H2,(H,15,16)
InChIKeyJPNODPAYNDCZNM-UHFFFAOYSA-N
MW289.40 g/mol
LogP2.66
Rot. Bonds3

About (1-cyclohexylsulfonylcyclohexyl)carbamic acid

(1-cyclohexylsulfonylcyclohexyl)carbamic acid (PubChem CID 157352651) has the molecular formula C13H23NO4S and a molecular weight of 289.40 g/mol. Its IUPAC name is (1-cyclohexylsulfonylcyclohexyl)carbamic acid.

Molecular Properties

Compound Name(1-cyclohexylsulfonylcyclohexyl)carbamic acid
PubChem CID157352651
Molecular FormulaC13H23NO4S
Molecular Weight289.40 g/mol
Exact Mass289.13
IUPAC Name(1-cyclohexylsulfonylcyclohexyl)carbamic acid
SMILESO=C(O)NC1(S(=O)(=O)C2CCCCC2)CCCCC1
InChIInChI=1S/C13H23NO4S/c15-12(16)14-13(9-5-2-6-10-13)19(17,18)11-7-3-1-4-8-11/h11,14H,1-10H2,(H,15,16)
InChIKeyJPNODPAYNDCZNM-UHFFFAOYSA-N
XLogP2.66
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1-cyclohexylsulfonylcyclopropyl)methanol
CID 117037467
1-(cyclohexylsulfonylamino)cyclopentane-1-carboxylic acid
CID 61065837
1-(cyclohexylsulfonylamino)cycloheptane-1-carboxylic acid
CID 61066003
methyl 1-cyclohexylsulfonylcyclobutane-1-carboxylate
CID 117037537
cyclohexylsulfonylformic acid
CID 117036747
2-[1-(cyclohexylsulfonylamino)cyclopentyl]acetic acid
CID 64673131
1-[(cyclohexylsulfonylamino)methyl]cycloheptane-1-carboxylic acid
CID 115443542
[(3S)-3-sulfamoylpyrrolidin-3-yl]carbamic acid
CID 69493207
1-cyclohexylsulfonyl-4-methylcyclohexa-2,4-dien-1-ol
CID 176894654
1-cyclopentylsulfonylcyclopropan-1-amine
CID 117037941
spiro[5.6]dodecane-12-carboxylic acid
CID 59513338
(1-chlorocyclohexyl)carbamic acid;hydrochloride
CID 70548635

Frequently Asked Questions

What is the IUPAC name of (1-cyclohexylsulfonylcyclohexyl)carbamic acid?
The IUPAC name of (1-cyclohexylsulfonylcyclohexyl)carbamic acid (CID 157352651) is (1-cyclohexylsulfonylcyclohexyl)carbamic acid.
What is the SMILES notation for (1-cyclohexylsulfonylcyclohexyl)carbamic acid?
The canonical SMILES for (1-cyclohexylsulfonylcyclohexyl)carbamic acid is O=C(O)NC1(S(=O)(=O)C2CCCCC2)CCCCC1.
What is the InChIKey of (1-cyclohexylsulfonylcyclohexyl)carbamic acid?
The InChIKey is JPNODPAYNDCZNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO4S/c15-12(16)14-13(9-5-2-6-10-13)19(17,18)11-7-3-1-4-8-11/h11,14H,1-10H2,(H,15,16).
What are the key properties of (1-cyclohexylsulfonylcyclohexyl)carbamic acid?
(1-cyclohexylsulfonylcyclohexyl)carbamic acid has a molecular weight of 289.40 g/mol, XLogP of 2.66, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-cyclohexylsulfonylcyclohexyl)carbamic acid is sourced from PubChem (CID 157352651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).