2-(tert-butylsulfamoylamino)cyclopentane-1-carbonitrile

C10H19N3O2S — CID 114807848

IUPAC2-(tert-butylsulfamoylamino)cyclopentane-1-carbonitrile
SMILESCC(C)(C)NS(=O)(=O)NC1CCCC1C#N
InChIInChI=1S/C10H19N3O2S/c1-10(2,3)13-16(14,15)12-9-6-4-5-8(9)7-11/h8-9,12-13H,4-6H2,1-3H3
InChIKeyLAMDZKZRMMTCDQ-UHFFFAOYSA-N
MW245.35 g/mol
LogP0.90
Rot. Bonds3

About 2-(tert-butylsulfamoylamino)cyclopentane-1-carbonitrile

2-(tert-butylsulfamoylamino)cyclopentane-1-carbonitrile (PubChem CID 114807848) has the molecular formula C10H19N3O2S and a molecular weight of 245.35 g/mol. Its IUPAC name is 2-(tert-butylsulfamoylamino)cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name2-(tert-butylsulfamoylamino)cyclopentane-1-carbonitrile
PubChem CID114807848
Molecular FormulaC10H19N3O2S
Molecular Weight245.35 g/mol
Exact Mass245.12
IUPAC Name2-(tert-butylsulfamoylamino)cyclopentane-1-carbonitrile
SMILESCC(C)(C)NS(=O)(=O)NC1CCCC1C#N
InChIInChI=1S/C10H19N3O2S/c1-10(2,3)13-16(14,15)12-9-6-4-5-8(9)7-11/h8-9,12-13H,4-6H2,1-3H3
InChIKeyLAMDZKZRMMTCDQ-UHFFFAOYSA-N
XLogP0.90
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
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

2-(2,2,2-Trifluoroethylsulfamoylamino)cyclopentane-1-carbonitrile
CID 113637036
1-Cyano-1-(diethylsulfamoylamino)cyclopentane
CID 55029365
1-Cyano-1-[[methyl(propan-2-yl)sulfamoyl]amino]cyclopentane
CID 61453751
1-Cyano-2-(dimethylsulfamoylamino)cyclopentane
CID 62961810
1-Cyano-2-(diethylsulfamoylamino)cyclopentane
CID 62963080
N-(2-cyanocyclopentyl)methanesulfonamide
CID 62963263
1-Cyano-2-[[methyl(propan-2-yl)sulfamoyl]amino]cyclopentane
CID 62963450
N-(2-cyanocyclopentyl)-2-methylpropane-2-sulfonamide
CID 63688050
3-[(2-Methylpropylsulfamoylamino)methyl]cyclopentan-1-amine
CID 106125417
3-[(Propan-2-ylsulfamoylamino)methyl]cyclopentan-1-amine
CID 106125481
3-[(Tert-butylsulfamoylamino)methyl]cyclopentan-1-amine
CID 106125517
3-[(Ethylsulfamoylamino)methyl]cyclopentan-1-amine
CID 106125522

Frequently Asked Questions

What is the IUPAC name of 2-(tert-butylsulfamoylamino)cyclopentane-1-carbonitrile?
The IUPAC name of 2-(tert-butylsulfamoylamino)cyclopentane-1-carbonitrile (CID 114807848) is 2-(tert-butylsulfamoylamino)cyclopentane-1-carbonitrile.
What is the SMILES notation for 2-(tert-butylsulfamoylamino)cyclopentane-1-carbonitrile?
The canonical SMILES for 2-(tert-butylsulfamoylamino)cyclopentane-1-carbonitrile is CC(C)(C)NS(=O)(=O)NC1CCCC1C#N.
What is the InChIKey of 2-(tert-butylsulfamoylamino)cyclopentane-1-carbonitrile?
The InChIKey is LAMDZKZRMMTCDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O2S/c1-10(2,3)13-16(14,15)12-9-6-4-5-8(9)7-11/h8-9,12-13H,4-6H2,1-3H3.
What are the key properties of 2-(tert-butylsulfamoylamino)cyclopentane-1-carbonitrile?
2-(tert-butylsulfamoylamino)cyclopentane-1-carbonitrile has a molecular weight of 245.35 g/mol, XLogP of 0.90, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tert-butylsulfamoylamino)cyclopentane-1-carbonitrile is sourced from PubChem (CID 114807848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).