1-(2-methylpropylsulfamoylamino)cyclopentane-1-carbonitrile

C10H19N3O2S — CID 114815070

IUPAC1-(2-methylpropylsulfamoylamino)cyclopentane-1-carbonitrile
SMILESCC(C)CNS(=O)(=O)NC1(C#N)CCCC1
InChIInChI=1S/C10H19N3O2S/c1-9(2)7-12-16(14,15)13-10(8-11)5-3-4-6-10/h9,12-13H,3-7H2,1-2H3
InChIKeyVJBYTVQVWKWJEM-UHFFFAOYSA-N
MW245.35 g/mol
LogP0.90
Rot. Bonds5

About 1-(2-methylpropylsulfamoylamino)cyclopentane-1-carbonitrile

1-(2-methylpropylsulfamoylamino)cyclopentane-1-carbonitrile (PubChem CID 114815070) has the molecular formula C10H19N3O2S and a molecular weight of 245.35 g/mol. Its IUPAC name is 1-(2-methylpropylsulfamoylamino)cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name1-(2-methylpropylsulfamoylamino)cyclopentane-1-carbonitrile
PubChem CID114815070
Molecular FormulaC10H19N3O2S
Molecular Weight245.35 g/mol
Exact Mass245.12
IUPAC Name1-(2-methylpropylsulfamoylamino)cyclopentane-1-carbonitrile
SMILESCC(C)CNS(=O)(=O)NC1(C#N)CCCC1
InChIInChI=1S/C10H19N3O2S/c1-9(2)7-12-16(14,15)13-10(8-11)5-3-4-6-10/h9,12-13H,3-7H2,1-2H3
InChIKeyVJBYTVQVWKWJEM-UHFFFAOYSA-N
XLogP0.90
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.35
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(ethylsulfamoylamino)cyclohexane-1-carbonitrile
CID 114807696
1-(methylsulfamoylamino)cyclooctane-1-carbonitrile
CID 114807749
1-(aminomethyl)-N-(2-methylpropylsulfamoyl)cyclobutan-1-amine
CID 114816801
4-(ethylsulfamoylamino)-1-methylpiperidine-4-carbonitrile
CID 114807742
1-cyano-1-(sulfamoylamino)cyclooctane
CID 114959123
1-bromo-N-(1-cyanocycloheptyl)methanesulfonamide
CID 83083803
methyl 2-[(1-cyanocyclohexyl)sulfamoyl]acetate
CID 61358180
N-(1-cyanocyclohexyl)cyclopropanesulfonamide
CID 64552206
3-(2-methylpropylsulfamoylamino)thiolane-3-carboxylic acid
CID 114814506
2-[1-[(2-methylpropylsulfamoylamino)methyl]cyclohexyl]acetic acid
CID 114814504
5-bromo-N-(1-cyanocyclohexyl)-4-methylthiophene-2-sulfonamide
CID 79987800
N-(1-cyanocycloheptyl)cyclopentanesulfonamide
CID 105361084

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropylsulfamoylamino)cyclopentane-1-carbonitrile?
The IUPAC name of 1-(2-methylpropylsulfamoylamino)cyclopentane-1-carbonitrile (CID 114815070) is 1-(2-methylpropylsulfamoylamino)cyclopentane-1-carbonitrile.
What is the SMILES notation for 1-(2-methylpropylsulfamoylamino)cyclopentane-1-carbonitrile?
The canonical SMILES for 1-(2-methylpropylsulfamoylamino)cyclopentane-1-carbonitrile is CC(C)CNS(=O)(=O)NC1(C#N)CCCC1.
What is the InChIKey of 1-(2-methylpropylsulfamoylamino)cyclopentane-1-carbonitrile?
The InChIKey is VJBYTVQVWKWJEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O2S/c1-9(2)7-12-16(14,15)13-10(8-11)5-3-4-6-10/h9,12-13H,3-7H2,1-2H3.
What are the key properties of 1-(2-methylpropylsulfamoylamino)cyclopentane-1-carbonitrile?
1-(2-methylpropylsulfamoylamino)cyclopentane-1-carbonitrile has a molecular weight of 245.35 g/mol, XLogP of 0.90, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropylsulfamoylamino)cyclopentane-1-carbonitrile is sourced from PubChem (CID 114815070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).