3-(ethylsulfamoylamino)pentanenitrile

C7H15N3O2S — CID 104694090

IUPAC3-(ethylsulfamoylamino)pentanenitrile
SMILESCCNS(=O)(=O)NC(CC)CC#N
InChIInChI=1S/C7H15N3O2S/c1-3-7(5-6-8)10-13(11,12)9-4-2/h7,9-10H,3-5H2,1-2H3
InChIKeyBSSXBCXKKFHATK-UHFFFAOYSA-N
MW205.28 g/mol
LogP0.12
Rot. Bonds6

About 3-(ethylsulfamoylamino)pentanenitrile

3-(ethylsulfamoylamino)pentanenitrile (PubChem CID 104694090) has the molecular formula C7H15N3O2S and a molecular weight of 205.28 g/mol. Its IUPAC name is 3-(ethylsulfamoylamino)pentanenitrile.

Molecular Properties

Compound Name3-(ethylsulfamoylamino)pentanenitrile
PubChem CID104694090
Molecular FormulaC7H15N3O2S
Molecular Weight205.28 g/mol
Exact Mass205.09
IUPAC Name3-(ethylsulfamoylamino)pentanenitrile
SMILESCCNS(=O)(=O)NC(CC)CC#N
InChIInChI=1S/C7H15N3O2S/c1-3-7(5-6-8)10-13(11,12)9-4-2/h7,9-10H,3-5H2,1-2H3
InChIKeyBSSXBCXKKFHATK-UHFFFAOYSA-N
XLogP0.12
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.28
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,2,2-Trifluoroethylsulfamoylamino)butanenitrile
CID 114807673
2-(2,2,2-Trifluoroethylsulfamoylamino)pentanenitrile
CID 114807680
3-(2,2,2-Trifluoroethylsulfamoylamino)butanenitrile
CID 114807799
3-(2,2,2-Trifluoroethylsulfamoylamino)pentanenitrile
CID 114807845
[(2R)-1-cyanobutan-2-yl]azanium;methanesulfonate
CID 11435489
3-Aminopentanenitrile;sulfuric acid
CID 23064912
2-Aminobutanenitrile;sulfuric acid
CID 56595462
[(Pentan-3-yl)sulfamoyl]amine
CID 86189774
(2R)-2-aminobutanenitrile;sulfuric acid
CID 87509392
(2S)-2-aminobutanenitrile;sulfuric acid
CID 87509393
3-(Cyclopropylsulfamoylamino)propanenitrile
CID 114807837
N-[(2R)-1-cyanopropan-2-yl]methanesulfonamide
CID 118606326

Frequently Asked Questions

What is the IUPAC name of 3-(ethylsulfamoylamino)pentanenitrile?
The IUPAC name of 3-(ethylsulfamoylamino)pentanenitrile (CID 104694090) is 3-(ethylsulfamoylamino)pentanenitrile.
What is the SMILES notation for 3-(ethylsulfamoylamino)pentanenitrile?
The canonical SMILES for 3-(ethylsulfamoylamino)pentanenitrile is CCNS(=O)(=O)NC(CC)CC#N.
What is the InChIKey of 3-(ethylsulfamoylamino)pentanenitrile?
The InChIKey is BSSXBCXKKFHATK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3O2S/c1-3-7(5-6-8)10-13(11,12)9-4-2/h7,9-10H,3-5H2,1-2H3.
What are the key properties of 3-(ethylsulfamoylamino)pentanenitrile?
3-(ethylsulfamoylamino)pentanenitrile has a molecular weight of 205.28 g/mol, XLogP of 0.12, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylsulfamoylamino)pentanenitrile is sourced from PubChem (CID 104694090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).