1-[(cyclohexylsulfonylamino)methyl]cycloheptane-1-carboxylic acid

C15H27NO4S — CID 115443542

IUPAC1-[(cyclohexylsulfonylamino)methyl]cycloheptane-1-carboxylic acid
SMILESO=C(O)C1(CNS(=O)(=O)C2CCCCC2)CCCCCC1
InChIInChI=1S/C15H27NO4S/c17-14(18)15(10-6-1-2-7-11-15)12-16-21(19,20)13-8-4-3-5-9-13/h13,16H,1-12H2,(H,17,18)
InChIKeyIJGCVRBUXYURKN-UHFFFAOYSA-N
MW317.45 g/mol
LogP2.66
Rot. Bonds5

About 1-[(cyclohexylsulfonylamino)methyl]cycloheptane-1-carboxylic acid

1-[(cyclohexylsulfonylamino)methyl]cycloheptane-1-carboxylic acid (PubChem CID 115443542) has the molecular formula C15H27NO4S and a molecular weight of 317.45 g/mol. Its IUPAC name is 1-[(cyclohexylsulfonylamino)methyl]cycloheptane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(cyclohexylsulfonylamino)methyl]cycloheptane-1-carboxylic acid
PubChem CID115443542
Molecular FormulaC15H27NO4S
Molecular Weight317.45 g/mol
Exact Mass317.17
IUPAC Name1-[(cyclohexylsulfonylamino)methyl]cycloheptane-1-carboxylic acid
SMILESO=C(O)C1(CNS(=O)(=O)C2CCCCC2)CCCCCC1
InChIInChI=1S/C15H27NO4S/c17-14(18)15(10-6-1-2-7-11-15)12-16-21(19,20)13-8-4-3-5-9-13/h13,16H,1-12H2,(H,17,18)
InChIKeyIJGCVRBUXYURKN-UHFFFAOYSA-N
XLogP2.66
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.45
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(cyclopropylsulfonylamino)methyl]-4-methylcyclohexane-1-carboxylic acid
CID 115441060
1-[[(1,1-dioxothiolan-3-yl)sulfonylamino]methyl]cyclopropane-1-carboxylic acid
CID 113312092
1-[(methylsulfamoylamino)methyl]cycloheptane-1-carboxylic acid
CID 114806899
1-[(tert-butylsulfonylamino)methyl]cycloheptane-1-carboxylic acid
CID 115443536
2-(cycloheptylsulfonylamino)acetic acid
CID 22441691
1-(cyclohexylsulfonylamino)cycloheptane-1-carboxylic acid
CID 61066003
1-(cyclohexylsulfonylamino)cyclopentane-1-carboxylic acid
CID 61065837
1-[(piperidin-1-ylsulfonylamino)methyl]cyclopentane-1-carboxylic acid
CID 113309107
1-[(ethylsulfamoylamino)methyl]cyclopentane-1-carboxylic acid
CID 114806880
1-[(cyclohexanecarbonylamino)methyl]cyclohexane-1-carboxylic acid
CID 69400249
N-[(3-hydroxypyrrolidin-3-yl)methyl]cyclopentanesulfonamide
CID 105360659
N-[[1-(aminomethyl)cyclopropyl]methyl]cyclopentanesulfonamide
CID 105361881

Frequently Asked Questions

What is the IUPAC name of 1-[(cyclohexylsulfonylamino)methyl]cycloheptane-1-carboxylic acid?
The IUPAC name of 1-[(cyclohexylsulfonylamino)methyl]cycloheptane-1-carboxylic acid (CID 115443542) is 1-[(cyclohexylsulfonylamino)methyl]cycloheptane-1-carboxylic acid.
What is the SMILES notation for 1-[(cyclohexylsulfonylamino)methyl]cycloheptane-1-carboxylic acid?
The canonical SMILES for 1-[(cyclohexylsulfonylamino)methyl]cycloheptane-1-carboxylic acid is O=C(O)C1(CNS(=O)(=O)C2CCCCC2)CCCCCC1.
What is the InChIKey of 1-[(cyclohexylsulfonylamino)methyl]cycloheptane-1-carboxylic acid?
The InChIKey is IJGCVRBUXYURKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO4S/c17-14(18)15(10-6-1-2-7-11-15)12-16-21(19,20)13-8-4-3-5-9-13/h13,16H,1-12H2,(H,17,18).
What are the key properties of 1-[(cyclohexylsulfonylamino)methyl]cycloheptane-1-carboxylic acid?
1-[(cyclohexylsulfonylamino)methyl]cycloheptane-1-carboxylic acid has a molecular weight of 317.45 g/mol, XLogP of 2.66, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(cyclohexylsulfonylamino)methyl]cycloheptane-1-carboxylic acid is sourced from PubChem (CID 115443542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).