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

C10H19N3O2S — CID 114807686

IUPAC1-(tert-butylsulfamoylamino)cyclopentane-1-carbonitrile
SMILESCC(C)(C)NS(=O)(=O)NC1(C#N)CCCC1
InChIInChI=1S/C10H19N3O2S/c1-9(2,3)12-16(14,15)13-10(8-11)6-4-5-7-10/h12-13H,4-7H2,1-3H3
InChIKeyYDBQSMGZVLLQNN-UHFFFAOYSA-N
MW245.35 g/mol
LogP1.05
Rot. Bonds3

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

1-(tert-butylsulfamoylamino)cyclopentane-1-carbonitrile (PubChem CID 114807686) has the molecular formula C10H19N3O2S and a molecular weight of 245.35 g/mol. Its IUPAC name is 1-(tert-butylsulfamoylamino)cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name1-(tert-butylsulfamoylamino)cyclopentane-1-carbonitrile
PubChem CID114807686
Molecular FormulaC10H19N3O2S
Molecular Weight245.35 g/mol
Exact Mass245.12
IUPAC Name1-(tert-butylsulfamoylamino)cyclopentane-1-carbonitrile
SMILESCC(C)(C)NS(=O)(=O)NC1(C#N)CCCC1
InChIInChI=1S/C10H19N3O2S/c1-9(2,3)12-16(14,15)13-10(8-11)6-4-5-7-10/h12-13H,4-7H2,1-3H3
InChIKeyYDBQSMGZVLLQNN-UHFFFAOYSA-N
XLogP1.05
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 ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-Cyano-1-(methylsulfonamido)cyclopentane
CID 13799783
1-methyl-N-[(1-methylcyclopentyl)sulfamoyl]cyclopentan-1-amine
CID 23323942
N-(1-cyanocyclopentyl)propane-2-sulfonamide
CID 61123668
1-Aminocyclopentane-1-carbonitrile;ethane;molecular hydrogen
CID 142228148
1-Aminocyclopentane-1-carbonitrile;ethane
CID 143448297
1-Cyano-1-(diethylsulfamoylamino)cyclopentane
CID 55029365
N-(1-cyanocyclopentyl)butane-1-sulfonamide
CID 55138336
N-(1-cyanocyclopentyl)propane-1-sulfonamide
CID 61124468
1-Cyano-1-(dimethylsulfamoylamino)cyclopentane
CID 61125065
1-Cyano-1-[[methyl(propan-2-yl)sulfamoyl]amino]cyclopentane
CID 61453751
N-(1-cyanocyclopentyl)-2-methylpropane-2-sulfonamide
CID 63689534
1-cyano-N-(1-methylcyclopentyl)propane-1-sulfonamide
CID 65567383

Frequently Asked Questions

What is the IUPAC name of 1-(tert-butylsulfamoylamino)cyclopentane-1-carbonitrile?
The IUPAC name of 1-(tert-butylsulfamoylamino)cyclopentane-1-carbonitrile (CID 114807686) is 1-(tert-butylsulfamoylamino)cyclopentane-1-carbonitrile.
What is the SMILES notation for 1-(tert-butylsulfamoylamino)cyclopentane-1-carbonitrile?
The canonical SMILES for 1-(tert-butylsulfamoylamino)cyclopentane-1-carbonitrile is CC(C)(C)NS(=O)(=O)NC1(C#N)CCCC1.
What is the InChIKey of 1-(tert-butylsulfamoylamino)cyclopentane-1-carbonitrile?
The InChIKey is YDBQSMGZVLLQNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O2S/c1-9(2,3)12-16(14,15)13-10(8-11)6-4-5-7-10/h12-13H,4-7H2,1-3H3.
What are the key properties of 1-(tert-butylsulfamoylamino)cyclopentane-1-carbonitrile?
1-(tert-butylsulfamoylamino)cyclopentane-1-carbonitrile has a molecular weight of 245.35 g/mol, XLogP of 1.05, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(tert-butylsulfamoylamino)cyclopentane-1-carbonitrile is sourced from PubChem (CID 114807686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).