1-(cyclopropylsulfamoylamino)cyclohexane-1-carbonitrile

C10H17N3O2S — CID 114807695

IUPAC1-(cyclopropylsulfamoylamino)cyclohexane-1-carbonitrile
SMILESN#CC1(NS(=O)(=O)NC2CC2)CCCCC1
InChIInChI=1S/C10H17N3O2S/c11-8-10(6-2-1-3-7-10)13-16(14,15)12-9-4-5-9/h9,12-13H,1-7H2
InChIKeyWTVRWEOKKVRHOS-UHFFFAOYSA-N
MW243.33 g/mol
LogP0.80
Rot. Bonds4

About 1-(cyclopropylsulfamoylamino)cyclohexane-1-carbonitrile

1-(cyclopropylsulfamoylamino)cyclohexane-1-carbonitrile (PubChem CID 114807695) has the molecular formula C10H17N3O2S and a molecular weight of 243.33 g/mol. Its IUPAC name is 1-(cyclopropylsulfamoylamino)cyclohexane-1-carbonitrile.

Molecular Properties

Compound Name1-(cyclopropylsulfamoylamino)cyclohexane-1-carbonitrile
PubChem CID114807695
Molecular FormulaC10H17N3O2S
Molecular Weight243.33 g/mol
Exact Mass243.10
IUPAC Name1-(cyclopropylsulfamoylamino)cyclohexane-1-carbonitrile
SMILESN#CC1(NS(=O)(=O)NC2CC2)CCCCC1
InChIInChI=1S/C10H17N3O2S/c11-8-10(6-2-1-3-7-10)13-16(14,15)12-9-4-5-9/h9,12-13H,1-7H2
InChIKeyWTVRWEOKKVRHOS-UHFFFAOYSA-N
XLogP0.80
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-Cyano-1-[[methyl(propan-2-yl)sulfamoyl]amino]cyclohexane
CID 54947882
3-[(Cyclopropylsulfamoylamino)methyl]cyclohexan-1-amine
CID 106126063
4-[(Cyclopropylsulfamoylamino)methyl]cyclohexan-1-amine
CID 106126319
1-(Cyclopropylsulfamoylamino)-4-ethylcyclohexane-1-carbonitrile
CID 113637018
1-(Cyclopropylsulfamoylamino)cycloheptane-1-carbonitrile
CID 113637022
2-(Tert-butylsulfamoylamino)-2-cyclohexylacetonitrile
CID 113637024
2-Cyclohexyl-2-(cyclopropylsulfamoylamino)acetonitrile
CID 113637025
2-Cyclohexyl-2-(propan-2-ylsulfamoylamino)acetonitrile
CID 113637026
4-Methyl-1-(2-methylpropylsulfamoylamino)cyclohexane-1-carbonitrile
CID 113638035
2-Cyclohexyl-2-(2-methylpropylsulfamoylamino)acetonitrile
CID 113638038
1-(aminomethyl)-N-(cyclopropylsulfamoyl)cyclohexan-1-amine
CID 114803340
1-(Cyclopropylsulfamoylamino)cyclopentane-1-carbonitrile
CID 114807689

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylsulfamoylamino)cyclohexane-1-carbonitrile?
The IUPAC name of 1-(cyclopropylsulfamoylamino)cyclohexane-1-carbonitrile (CID 114807695) is 1-(cyclopropylsulfamoylamino)cyclohexane-1-carbonitrile.
What is the SMILES notation for 1-(cyclopropylsulfamoylamino)cyclohexane-1-carbonitrile?
The canonical SMILES for 1-(cyclopropylsulfamoylamino)cyclohexane-1-carbonitrile is N#CC1(NS(=O)(=O)NC2CC2)CCCCC1.
What is the InChIKey of 1-(cyclopropylsulfamoylamino)cyclohexane-1-carbonitrile?
The InChIKey is WTVRWEOKKVRHOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2S/c11-8-10(6-2-1-3-7-10)13-16(14,15)12-9-4-5-9/h9,12-13H,1-7H2.
What are the key properties of 1-(cyclopropylsulfamoylamino)cyclohexane-1-carbonitrile?
1-(cyclopropylsulfamoylamino)cyclohexane-1-carbonitrile has a molecular weight of 243.33 g/mol, XLogP of 0.80, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylsulfamoylamino)cyclohexane-1-carbonitrile is sourced from PubChem (CID 114807695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).