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

C10H20N2O4S — CID 114806899

IUPAC1-[(methylsulfamoylamino)methyl]cycloheptane-1-carboxylic acid
SMILESCNS(=O)(=O)NCC1(C(=O)O)CCCCCC1
InChIInChI=1S/C10H20N2O4S/c1-11-17(15,16)12-8-10(9(13)14)6-4-2-3-5-7-10/h11-12H,2-8H2,1H3,(H,13,14)
InChIKeyVKUZPAAOVWSAJP-UHFFFAOYSA-N
MW264.35 g/mol
LogP0.47
Rot. Bonds5

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

1-[(methylsulfamoylamino)methyl]cycloheptane-1-carboxylic acid (PubChem CID 114806899) has the molecular formula C10H20N2O4S and a molecular weight of 264.35 g/mol. Its IUPAC name is 1-[(methylsulfamoylamino)methyl]cycloheptane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(methylsulfamoylamino)methyl]cycloheptane-1-carboxylic acid
PubChem CID114806899
Molecular FormulaC10H20N2O4S
Molecular Weight264.35 g/mol
Exact Mass264.11
IUPAC Name1-[(methylsulfamoylamino)methyl]cycloheptane-1-carboxylic acid
SMILESCNS(=O)(=O)NCC1(C(=O)O)CCCCCC1
InChIInChI=1S/C10H20N2O4S/c1-11-17(15,16)12-8-10(9(13)14)6-4-2-3-5-7-10/h11-12H,2-8H2,1H3,(H,13,14)
InChIKeyVKUZPAAOVWSAJP-UHFFFAOYSA-N
XLogP0.47
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 50.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(ethylsulfamoylamino)methyl]cyclopentane-1-carboxylic acid
CID 114806880
1-[(tert-butylsulfonylamino)methyl]cycloheptane-1-carboxylic acid
CID 115443536
1-[(propan-2-ylsulfamoylamino)methyl]cyclopropane-1-carboxylic acid
CID 114806915
1-[(cyclohexylsulfonylamino)methyl]cycloheptane-1-carboxylic acid
CID 115443542
1-[(piperidin-1-ylsulfonylamino)methyl]cyclopentane-1-carboxylic acid
CID 113309107
1-[(2,2-dimethylpropylsulfonylamino)methyl]cyclopentane-1-carboxylic acid
CID 113309116
1-[(methylsulfamoylamino)methyl]cycloheptan-1-amine
CID 114810378
1-[[(2-methoxy-2-oxoethyl)sulfonylamino]methyl]cyclopentane-1-carboxylic acid
CID 113309110
1-[(butylsulfonylamino)methyl]cyclopentane-1-carboxylic acid
CID 115433192
1-[(methylsulfonylmethylsulfonylamino)methyl]cyclobutane-1-carboxylic acid
CID 82843118
1-[(4-methylsulfonylbutanoylamino)methyl]cyclohexane-1-carboxylic acid
CID 120543941
1-(chlorosulfonylmethyl)cyclohexane-1-carboxylic acid
CID 22646698

Frequently Asked Questions

What is the IUPAC name of 1-[(methylsulfamoylamino)methyl]cycloheptane-1-carboxylic acid?
The IUPAC name of 1-[(methylsulfamoylamino)methyl]cycloheptane-1-carboxylic acid (CID 114806899) is 1-[(methylsulfamoylamino)methyl]cycloheptane-1-carboxylic acid.
What is the SMILES notation for 1-[(methylsulfamoylamino)methyl]cycloheptane-1-carboxylic acid?
The canonical SMILES for 1-[(methylsulfamoylamino)methyl]cycloheptane-1-carboxylic acid is CNS(=O)(=O)NCC1(C(=O)O)CCCCCC1.
What is the InChIKey of 1-[(methylsulfamoylamino)methyl]cycloheptane-1-carboxylic acid?
The InChIKey is VKUZPAAOVWSAJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O4S/c1-11-17(15,16)12-8-10(9(13)14)6-4-2-3-5-7-10/h11-12H,2-8H2,1H3,(H,13,14).
What are the key properties of 1-[(methylsulfamoylamino)methyl]cycloheptane-1-carboxylic acid?
1-[(methylsulfamoylamino)methyl]cycloheptane-1-carboxylic acid has a molecular weight of 264.35 g/mol, XLogP of 0.47, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(methylsulfamoylamino)methyl]cycloheptane-1-carboxylic acid is sourced from PubChem (CID 114806899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).