1-(cyclohexylsulfonylamino)cycloheptane-1-carboxylic acid

C14H25NO4S — CID 61066003

IUPAC1-(cyclohexylsulfonylamino)cycloheptane-1-carboxylic acid
SMILESO=C(O)C1(NS(=O)(=O)C2CCCCC2)CCCCCC1
InChIInChI=1S/C14H25NO4S/c16-13(17)14(10-6-1-2-7-11-14)15-20(18,19)12-8-4-3-5-9-12/h12,15H,1-11H2,(H,16,17)
InChIKeyACUVMXPDNAWGJC-UHFFFAOYSA-N
MW303.42 g/mol
LogP2.42
Rot. Bonds4

About 1-(cyclohexylsulfonylamino)cycloheptane-1-carboxylic acid

1-(cyclohexylsulfonylamino)cycloheptane-1-carboxylic acid (PubChem CID 61066003) has the molecular formula C14H25NO4S and a molecular weight of 303.42 g/mol. Its IUPAC name is 1-(cyclohexylsulfonylamino)cycloheptane-1-carboxylic acid.

Molecular Properties

Compound Name1-(cyclohexylsulfonylamino)cycloheptane-1-carboxylic acid
PubChem CID61066003
Molecular FormulaC14H25NO4S
Molecular Weight303.42 g/mol
Exact Mass303.15
IUPAC Name1-(cyclohexylsulfonylamino)cycloheptane-1-carboxylic acid
SMILESO=C(O)C1(NS(=O)(=O)C2CCCCC2)CCCCCC1
InChIInChI=1S/C14H25NO4S/c16-13(17)14(10-6-1-2-7-11-14)15-20(18,19)12-8-4-3-5-9-12/h12,15H,1-11H2,(H,16,17)
InChIKeyACUVMXPDNAWGJC-UHFFFAOYSA-N
XLogP2.42
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.42
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(cyclohexylsulfonylamino)cyclopentane-1-carboxylic acid
CID 61065837
1-(cyclohexylsulfonylamino)cyclooctane-1-carbothioamide
CID 61123572
2-[1-(cyclohexylsulfonylamino)cyclopentyl]acetic acid
CID 64673131
1-(cyclohexylmethylsulfonylamino)cyclohexane-1-carboxylic acid
CID 61454000
1-(cyclopropylsulfonylamino)-4-ethylcyclohexane-1-carboxylic acid
CID 64552398
1-[(cyclohexylsulfonylamino)methyl]cycloheptane-1-carboxylic acid
CID 115443542
1-(trifluoromethylsulfonylamino)cycloheptane-1-carboxylic acid
CID 43361680
1-[(4-methylpiperidin-1-yl)sulfonylamino]cycloheptane-1-carboxylic acid
CID 43163334
N-[1-(chloromethyl)cyclohexyl]cyclopentanesulfonamide
CID 105361716
N-[1-(aminomethyl)cyclooctyl]cyclohexanesulfonamide
CID 61065631
N-(1-cyanocycloheptyl)cyclopentanesulfonamide
CID 105361084
1-(cyclopropylamino)cyclododecane-1-carboxylic acid
CID 43754451

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylsulfonylamino)cycloheptane-1-carboxylic acid?
The IUPAC name of 1-(cyclohexylsulfonylamino)cycloheptane-1-carboxylic acid (CID 61066003) is 1-(cyclohexylsulfonylamino)cycloheptane-1-carboxylic acid.
What is the SMILES notation for 1-(cyclohexylsulfonylamino)cycloheptane-1-carboxylic acid?
The canonical SMILES for 1-(cyclohexylsulfonylamino)cycloheptane-1-carboxylic acid is O=C(O)C1(NS(=O)(=O)C2CCCCC2)CCCCCC1.
What is the InChIKey of 1-(cyclohexylsulfonylamino)cycloheptane-1-carboxylic acid?
The InChIKey is ACUVMXPDNAWGJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO4S/c16-13(17)14(10-6-1-2-7-11-14)15-20(18,19)12-8-4-3-5-9-12/h12,15H,1-11H2,(H,16,17).
What are the key properties of 1-(cyclohexylsulfonylamino)cycloheptane-1-carboxylic acid?
1-(cyclohexylsulfonylamino)cycloheptane-1-carboxylic acid has a molecular weight of 303.42 g/mol, XLogP of 2.42, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylsulfonylamino)cycloheptane-1-carboxylic acid is sourced from PubChem (CID 61066003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).