1-(cyclopropylsulfamoyl)azepane-2-carboxylic acid

C10H18N2O4S — CID 114533609

IUPAC1-(cyclopropylsulfamoyl)azepane-2-carboxylic acid
SMILESO=C(O)C1CCCCCN1S(=O)(=O)NC1CC1
InChIInChI=1S/C10H18N2O4S/c13-10(14)9-4-2-1-3-7-12(9)17(15,16)11-8-5-6-8/h8-9,11H,1-7H2,(H,13,14)
InChIKeyVRKMCYWGEQTCKC-UHFFFAOYSA-N
MW262.33 g/mol
LogP0.31
Rot. Bonds4

About 1-(cyclopropylsulfamoyl)azepane-2-carboxylic acid

1-(cyclopropylsulfamoyl)azepane-2-carboxylic acid (PubChem CID 114533609) has the molecular formula C10H18N2O4S and a molecular weight of 262.33 g/mol. Its IUPAC name is 1-(cyclopropylsulfamoyl)azepane-2-carboxylic acid.

Molecular Properties

Compound Name1-(cyclopropylsulfamoyl)azepane-2-carboxylic acid
PubChem CID114533609
Molecular FormulaC10H18N2O4S
Molecular Weight262.33 g/mol
Exact Mass262.10
IUPAC Name1-(cyclopropylsulfamoyl)azepane-2-carboxylic acid
SMILESO=C(O)C1CCCCCN1S(=O)(=O)NC1CC1
InChIInChI=1S/C10H18N2O4S/c13-10(14)9-4-2-1-3-7-12(9)17(15,16)11-8-5-6-8/h8-9,11H,1-7H2,(H,13,14)
InChIKeyVRKMCYWGEQTCKC-UHFFFAOYSA-N
XLogP0.31
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(methoxysulfamoyl)piperidine-2-carboxylic acid
CID 64974074
1-[(2-methylcyclohexyl)sulfamoyl]piperidine-2-carboxylic acid
CID 60857587
N-cyclohexyl-1-(cyclopentylsulfamoyl)pyrrolidine-2-carboxamide
CID 110625685
(2S)-1-(tert-butylsulfamoyl)piperidine-2-carboxylic acid
CID 104977959
1-(cyanosulfamoyl)piperidine-2-carboxylic acid
CID 79194973
1-(cyclopentylmethylsulfamoyl)piperidine-2-carboxylic acid
CID 60857626
N-cyclopropyl-2-(piperazine-1-carbonyl)pyrrolidine-1-sulfonamide
CID 114810582
(2R,3R)-1-(cyclopentylsulfamoyl)-2-methylpiperidine-3-carboxylic acid
CID 122104880
(2S)-N-cyclooctyl-2-methylpiperidine-1-sulfonamide
CID 35294415
N-cyclohexyl-2-methylpiperidine-1-sulfonamide
CID 47164661
N-cycloheptylpiperidine-1-sulfonamide
CID 110705910
(4R)-3-(cyclopropylsulfamoyl)-1,3-thiazolidine-4-carboxylic acid
CID 104937084

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylsulfamoyl)azepane-2-carboxylic acid?
The IUPAC name of 1-(cyclopropylsulfamoyl)azepane-2-carboxylic acid (CID 114533609) is 1-(cyclopropylsulfamoyl)azepane-2-carboxylic acid.
What is the SMILES notation for 1-(cyclopropylsulfamoyl)azepane-2-carboxylic acid?
The canonical SMILES for 1-(cyclopropylsulfamoyl)azepane-2-carboxylic acid is O=C(O)C1CCCCCN1S(=O)(=O)NC1CC1.
What is the InChIKey of 1-(cyclopropylsulfamoyl)azepane-2-carboxylic acid?
The InChIKey is VRKMCYWGEQTCKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O4S/c13-10(14)9-4-2-1-3-7-12(9)17(15,16)11-8-5-6-8/h8-9,11H,1-7H2,(H,13,14).
What are the key properties of 1-(cyclopropylsulfamoyl)azepane-2-carboxylic acid?
1-(cyclopropylsulfamoyl)azepane-2-carboxylic acid has a molecular weight of 262.33 g/mol, XLogP of 0.31, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylsulfamoyl)azepane-2-carboxylic acid is sourced from PubChem (CID 114533609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).