1-(prop-2-enylsulfonylamino)cyclohexane-1-carboxylic acid

C10H17NO4S — CID 79673370

IUPAC1-(prop-2-enylsulfonylamino)cyclohexane-1-carboxylic acid
SMILESC=CCS(=O)(=O)NC1(C(=O)O)CCCCC1
InChIInChI=1S/C10H17NO4S/c1-2-8-16(14,15)11-10(9(12)13)6-4-3-5-7-10/h2,11H,1,3-8H2,(H,12,13)
InChIKeyPWLCMSPCINHLQT-UHFFFAOYSA-N
MW247.32 g/mol
LogP0.88
Rot. Bonds5

About 1-(prop-2-enylsulfonylamino)cyclohexane-1-carboxylic acid

1-(prop-2-enylsulfonylamino)cyclohexane-1-carboxylic acid (PubChem CID 79673370) has the molecular formula C10H17NO4S and a molecular weight of 247.32 g/mol. Its IUPAC name is 1-(prop-2-enylsulfonylamino)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-(prop-2-enylsulfonylamino)cyclohexane-1-carboxylic acid
PubChem CID79673370
Molecular FormulaC10H17NO4S
Molecular Weight247.32 g/mol
Exact Mass247.09
IUPAC Name1-(prop-2-enylsulfonylamino)cyclohexane-1-carboxylic acid
SMILESC=CCS(=O)(=O)NC1(C(=O)O)CCCCC1
InChIInChI=1S/C10H17NO4S/c1-2-8-16(14,15)11-10(9(12)13)6-4-3-5-7-10/h2,11H,1,3-8H2,(H,12,13)
InChIKeyPWLCMSPCINHLQT-UHFFFAOYSA-N
XLogP0.88
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-(methylsulfonylmethylsulfonylamino)cyclopentane-1-carboxylic acid
CID 82839909
1-(cyclohexylmethylsulfonylamino)cyclohexane-1-carboxylic acid
CID 61454000
1-[(2-methoxy-2-oxoethyl)sulfonylamino]cyclopentane-1-carboxylic acid
CID 61358172
1-(2-ethoxyethylsulfonylamino)cyclohexane-1-carboxylic acid
CID 55174686
1-(ethylsulfonylamino)cyclopropane-1-carboxylic acid
CID 61355189
1-(trifluoromethylsulfonylamino)cycloheptane-1-carboxylic acid
CID 43361680
1-(2-methylsulfonylethylsulfonylamino)cyclobutane-1-carboxylic acid
CID 81163920
1-(2-ethoxyethylsulfonylamino)cyclopentane-1-carboxylic acid
CID 63245506
1-methyl-2-(prop-2-enylsulfonylamino)cyclohexane-1-carboxylic acid
CID 83214139
1-(2-methoxyethylsulfonylamino)cyclobutane-1-carboxylic acid
CID 81164087
1-(cyclohexylsulfonylamino)cyclopentane-1-carboxylic acid
CID 61065837
1-(cyclohexylsulfonylamino)cycloheptane-1-carboxylic acid
CID 61066003

Frequently Asked Questions

What is the IUPAC name of 1-(prop-2-enylsulfonylamino)cyclohexane-1-carboxylic acid?
The IUPAC name of 1-(prop-2-enylsulfonylamino)cyclohexane-1-carboxylic acid (CID 79673370) is 1-(prop-2-enylsulfonylamino)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-(prop-2-enylsulfonylamino)cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-(prop-2-enylsulfonylamino)cyclohexane-1-carboxylic acid is C=CCS(=O)(=O)NC1(C(=O)O)CCCCC1.
What is the InChIKey of 1-(prop-2-enylsulfonylamino)cyclohexane-1-carboxylic acid?
The InChIKey is PWLCMSPCINHLQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO4S/c1-2-8-16(14,15)11-10(9(12)13)6-4-3-5-7-10/h2,11H,1,3-8H2,(H,12,13).
What are the key properties of 1-(prop-2-enylsulfonylamino)cyclohexane-1-carboxylic acid?
1-(prop-2-enylsulfonylamino)cyclohexane-1-carboxylic acid has a molecular weight of 247.32 g/mol, XLogP of 0.88, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(prop-2-enylsulfonylamino)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 79673370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).