methyl N-[(2-cyanocyclopentyl)sulfamoyl]carbamate

C8H13N3O4S — CID 114463415

IUPACmethyl N-[(2-cyanocyclopentyl)sulfamoyl]carbamate
SMILESCOC(=O)NS(=O)(=O)NC1CCCC1C#N
InChIInChI=1S/C8H13N3O4S/c1-15-8(12)11-16(13,14)10-7-4-2-3-6(7)5-9/h6-7,10H,2-4H2,1H3,(H,11,12)
InChIKeyFSMLWKVUZAKUAA-UHFFFAOYSA-N
MW247.28 g/mol
LogP-0.13
Rot. Bonds3

About methyl N-[(2-cyanocyclopentyl)sulfamoyl]carbamate

methyl N-[(2-cyanocyclopentyl)sulfamoyl]carbamate (PubChem CID 114463415) has the molecular formula C8H13N3O4S and a molecular weight of 247.28 g/mol. Its IUPAC name is methyl N-[(2-cyanocyclopentyl)sulfamoyl]carbamate.

Molecular Properties

Compound Namemethyl N-[(2-cyanocyclopentyl)sulfamoyl]carbamate
PubChem CID114463415
Molecular FormulaC8H13N3O4S
Molecular Weight247.28 g/mol
Exact Mass247.06
IUPAC Namemethyl N-[(2-cyanocyclopentyl)sulfamoyl]carbamate
SMILESCOC(=O)NS(=O)(=O)NC1CCCC1C#N
InChIInChI=1S/C8H13N3O4S/c1-15-8(12)11-16(13,14)10-7-4-2-3-6(7)5-9/h6-7,10H,2-4H2,1H3,(H,11,12)
InChIKeyFSMLWKVUZAKUAA-UHFFFAOYSA-N
XLogP-0.13
TPSA108.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.28
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl N-[(2-chlorocyclopentyl)sulfamoyl]carbamate
CID 106444350
ethyl 2-[(2-cyanocyclopentyl)sulfamoyl]acetate
CID 62963269
1-chloro-N-(2-cyanocyclopentyl)methanesulfonamide
CID 63666238
methyl 2-[(2-cyanocyclopentyl)amino]-4-methylpentanoate
CID 55114184
methyl 2-[(2-cyanocyclopentyl)amino]-3-methylbutanoate
CID 62743944
cis-methyl (1R,2R)-2-cyanocyclopentane-1-carboxylate
CID 102427943
N-[(1R,2S)-2-cyanocyclopentyl]-4-methylbenzenesulfonamide
CID 101252932
N-[(1S,2S)-2-cyanocyclopentyl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 97121023
N-(2-cyanocyclopentyl)cyclooctanecarboxamide
CID 65018663
4-(methoxycarbonylsulfamoylamino)cyclohexane-1-carboxylic acid
CID 114462144
[(1R,2R)-2-cyanocyclohexyl]carbamic acid
CID 89240043
2-[4-[(2-cyanocyclopentyl)sulfamoyl]phenyl]acetic acid
CID 62961272

Frequently Asked Questions

What is the IUPAC name of methyl N-[(2-cyanocyclopentyl)sulfamoyl]carbamate?
The IUPAC name of methyl N-[(2-cyanocyclopentyl)sulfamoyl]carbamate (CID 114463415) is methyl N-[(2-cyanocyclopentyl)sulfamoyl]carbamate.
What is the SMILES notation for methyl N-[(2-cyanocyclopentyl)sulfamoyl]carbamate?
The canonical SMILES for methyl N-[(2-cyanocyclopentyl)sulfamoyl]carbamate is COC(=O)NS(=O)(=O)NC1CCCC1C#N.
What is the InChIKey of methyl N-[(2-cyanocyclopentyl)sulfamoyl]carbamate?
The InChIKey is FSMLWKVUZAKUAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O4S/c1-15-8(12)11-16(13,14)10-7-4-2-3-6(7)5-9/h6-7,10H,2-4H2,1H3,(H,11,12).
What are the key properties of methyl N-[(2-cyanocyclopentyl)sulfamoyl]carbamate?
methyl N-[(2-cyanocyclopentyl)sulfamoyl]carbamate has a molecular weight of 247.28 g/mol, XLogP of -0.13, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[(2-cyanocyclopentyl)sulfamoyl]carbamate is sourced from PubChem (CID 114463415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).