N-(2-amino-1-cyclopentylethyl)-1-cyanomethanesulfonamide

C9H17N3O2S — CID 106737773

IUPACN-(2-amino-1-cyclopentylethyl)-1-cyanomethanesulfonamide
SMILESN#CCS(=O)(=O)NC(CN)C1CCCC1
InChIInChI=1S/C9H17N3O2S/c10-5-6-15(13,14)12-9(7-11)8-3-1-2-4-8/h8-9,12H,1-4,6-7,11H2
InChIKeyWVIUQRCSXXFBMD-UHFFFAOYSA-N
MW231.32 g/mol
LogP-0.05
Rot. Bonds5

About N-(2-amino-1-cyclopentylethyl)-1-cyanomethanesulfonamide

N-(2-amino-1-cyclopentylethyl)-1-cyanomethanesulfonamide (PubChem CID 106737773) has the molecular formula C9H17N3O2S and a molecular weight of 231.32 g/mol. Its IUPAC name is N-(2-amino-1-cyclopentylethyl)-1-cyanomethanesulfonamide.

Molecular Properties

Compound NameN-(2-amino-1-cyclopentylethyl)-1-cyanomethanesulfonamide
PubChem CID106737773
Molecular FormulaC9H17N3O2S
Molecular Weight231.32 g/mol
Exact Mass231.10
IUPAC NameN-(2-amino-1-cyclopentylethyl)-1-cyanomethanesulfonamide
SMILESN#CCS(=O)(=O)NC(CN)C1CCCC1
InChIInChI=1S/C9H17N3O2S/c10-5-6-15(13,14)12-9(7-11)8-3-1-2-4-8/h8-9,12H,1-4,6-7,11H2
InChIKeyWVIUQRCSXXFBMD-UHFFFAOYSA-N
XLogP-0.05
TPSA95.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.32
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-amino-1-cyclopentylethyl)ethanesulfonamide
CID 106737875
N-(2-amino-1-cyclohexylethyl)propane-1-sulfonamide
CID 61124953
N-(2-amino-1-cyclopentylethyl)prop-2-ene-1-sulfonamide
CID 106737824
N-(2-amino-1-cyclohexylethyl)methanesulfonamide
CID 61122382
N-(2-amino-1-cyclohexylethyl)cyclopropanesulfonamide
CID 64553648
N-(2-amino-1-cyclopentylethyl)-1-(oxan-2-yl)methanesulfonamide;hydrochloride
CID 120584818
N-(2-amino-1-cyclopentylethyl)-2-methylpentane-1-sulfonamide;hydrochloride
CID 120585319
N-(2-amino-1-cyclohexylethyl)-3-cyanobenzenesulfonamide
CID 115309375
N-(2-amino-1-cyclohexylethyl)benzenesulfonamide
CID 61122381
N-(2-amino-1-cyclohexylethyl)-3-chloro-2-cyanobenzenesulfonamide
CID 119983523
N-(2-amino-1-cyclohexylethyl)-2-cyanopyridine-3-sulfonamide
CID 106598645
N-(2-amino-1-cyclopentylethyl)-1-[3-(trifluoromethyl)phenyl]methanesulfonamide
CID 120585032

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclopentylethyl)-1-cyanomethanesulfonamide?
The IUPAC name of N-(2-amino-1-cyclopentylethyl)-1-cyanomethanesulfonamide (CID 106737773) is N-(2-amino-1-cyclopentylethyl)-1-cyanomethanesulfonamide.
What is the SMILES notation for N-(2-amino-1-cyclopentylethyl)-1-cyanomethanesulfonamide?
The canonical SMILES for N-(2-amino-1-cyclopentylethyl)-1-cyanomethanesulfonamide is N#CCS(=O)(=O)NC(CN)C1CCCC1.
What is the InChIKey of N-(2-amino-1-cyclopentylethyl)-1-cyanomethanesulfonamide?
The InChIKey is WVIUQRCSXXFBMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O2S/c10-5-6-15(13,14)12-9(7-11)8-3-1-2-4-8/h8-9,12H,1-4,6-7,11H2.
What are the key properties of N-(2-amino-1-cyclopentylethyl)-1-cyanomethanesulfonamide?
N-(2-amino-1-cyclopentylethyl)-1-cyanomethanesulfonamide has a molecular weight of 231.32 g/mol, XLogP of -0.05, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclopentylethyl)-1-cyanomethanesulfonamide is sourced from PubChem (CID 106737773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).