(1S,2S,4R,5R)-4-[[cycloheptyl(methyl)sulfamoyl]amino]bicyclo[3.1.0]hexane-2-carboxylic acid

C15H26N2O4S — CID 166267249

IUPAC(1S,2S,4R,5R)-4-[[cycloheptyl(methyl)sulfamoyl]amino]bicyclo[3.1.0]hexane-2-carboxylic acid
SMILESCN(C1CCCCCC1)S(=O)(=O)N[C@@H]1C[C@H](C(=O)O)[C@H]2C[C@H]21
InChIInChI=1S/C15H26N2O4S/c1-17(10-6-4-2-3-5-7-10)22(20,21)16-14-9-13(15(18)19)11-8-12(11)14/h10-14,16H,2-9H2,1H3,(H,18,19)/t11-,12+,13-,14+/m0/s1
InChIKeyUNVVRHNKEHHPIO-RFQIPJPRSA-N
MW330.45 g/mol
LogP1.58
Rot. Bonds5

About (1S,2S,4R,5R)-4-[[cycloheptyl(methyl)sulfamoyl]amino]bicyclo[3.1.0]hexane-2-carboxylic acid

(1S,2S,4R,5R)-4-[[cycloheptyl(methyl)sulfamoyl]amino]bicyclo[3.1.0]hexane-2-carboxylic acid (PubChem CID 166267249) has the molecular formula C15H26N2O4S and a molecular weight of 330.45 g/mol. Its IUPAC name is (1S,2S,4R,5R)-4-[[cycloheptyl(methyl)sulfamoyl]amino]bicyclo[3.1.0]hexane-2-carboxylic acid.

Molecular Properties

Compound Name(1S,2S,4R,5R)-4-[[cycloheptyl(methyl)sulfamoyl]amino]bicyclo[3.1.0]hexane-2-carboxylic acid
PubChem CID166267249
Molecular FormulaC15H26N2O4S
Molecular Weight330.45 g/mol
Exact Mass330.16
IUPAC Name(1S,2S,4R,5R)-4-[[cycloheptyl(methyl)sulfamoyl]amino]bicyclo[3.1.0]hexane-2-carboxylic acid
SMILESCN(C1CCCCCC1)S(=O)(=O)N[C@@H]1C[C@H](C(=O)O)[C@H]2C[C@H]21
InChIInChI=1S/C15H26N2O4S/c1-17(10-6-4-2-3-5-7-10)22(20,21)16-14-9-13(15(18)19)11-8-12(11)14/h10-14,16H,2-9H2,1H3,(H,18,19)/t11-,12+,13-,14+/m0/s1
InChIKeyUNVVRHNKEHHPIO-RFQIPJPRSA-N
XLogP1.58
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.45
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (1S,2S,4R,5R)-4-[[cycloheptyl(methyl)sulfamoyl]amino]bicyclo[3.1.0]hexane-2-carboxylic acid with MolForge

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Related Compounds

trans-(1S,2S)-1-[[cyclohexyl(methyl)sulfamoyl]amino]-2-hydroxycyclohexane
CID 94415076
[[2-(aminomethyl)cyclopentyl]sulfamoyl-methylamino]cyclohexane;hydrochloride
CID 119985441
2-[cycloheptyl(methyl)amino]cyclobutane-1-carboxylic acid
CID 80996383
2-[3-[cyclohexyl(methyl)amino]propylamino]cyclobutane-1-carboxylic acid
CID 103240507
(2R)-2-[[cyclohexyl(methyl)sulfamoyl]amino]pentanoic acid
CID 93252484
3-[[cyclohexyl(methyl)sulfamoyl]amino]pyrrolidine;hydrochloride
CID 119966758
2-[2-[cyclopentyl(methyl)amino]ethylamino]cyclobutane-1-carboxylic acid
CID 103251458
N-[2-[[cyclohexyl(methyl)sulfamoyl]amino]ethyl]acetamide
CID 47157246
3-(dimethylsulfamoylamino)cyclohexane-1-carboxylic acid
CID 63042574
[(3-hydroxy-2,3-dimethylbutan-2-yl)sulfamoyl-methylamino]cyclohexane
CID 103931305
2-[3-[cyclohexyl(methyl)amino]propylcarbamoyl]cyclopropane-1-carboxylic acid
CID 60980682
2-[[cyclohexyl(methyl)sulfamoyl]amino]-3-methylpentanoic acid
CID 43172836

Frequently Asked Questions

What is the IUPAC name of (1S,2S,4R,5R)-4-[[cycloheptyl(methyl)sulfamoyl]amino]bicyclo[3.1.0]hexane-2-carboxylic acid?
The IUPAC name of (1S,2S,4R,5R)-4-[[cycloheptyl(methyl)sulfamoyl]amino]bicyclo[3.1.0]hexane-2-carboxylic acid (CID 166267249) is (1S,2S,4R,5R)-4-[[cycloheptyl(methyl)sulfamoyl]amino]bicyclo[3.1.0]hexane-2-carboxylic acid.
What is the SMILES notation for (1S,2S,4R,5R)-4-[[cycloheptyl(methyl)sulfamoyl]amino]bicyclo[3.1.0]hexane-2-carboxylic acid?
The canonical SMILES for (1S,2S,4R,5R)-4-[[cycloheptyl(methyl)sulfamoyl]amino]bicyclo[3.1.0]hexane-2-carboxylic acid is CN(C1CCCCCC1)S(=O)(=O)N[C@@H]1C[C@H](C(=O)O)[C@H]2C[C@H]21.
What is the InChIKey of (1S,2S,4R,5R)-4-[[cycloheptyl(methyl)sulfamoyl]amino]bicyclo[3.1.0]hexane-2-carboxylic acid?
The InChIKey is UNVVRHNKEHHPIO-RFQIPJPRSA-N. The full InChI is InChI=1S/C15H26N2O4S/c1-17(10-6-4-2-3-5-7-10)22(20,21)16-14-9-13(15(18)19)11-8-12(11)14/h10-14,16H,2-9H2,1H3,(H,18,19)/t11-,12+,13-,14+/m0/s1.
What are the key properties of (1S,2S,4R,5R)-4-[[cycloheptyl(methyl)sulfamoyl]amino]bicyclo[3.1.0]hexane-2-carboxylic acid?
(1S,2S,4R,5R)-4-[[cycloheptyl(methyl)sulfamoyl]amino]bicyclo[3.1.0]hexane-2-carboxylic acid has a molecular weight of 330.45 g/mol, XLogP of 1.58, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,4R,5R)-4-[[cycloheptyl(methyl)sulfamoyl]amino]bicyclo[3.1.0]hexane-2-carboxylic acid is sourced from PubChem (CID 166267249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).