3-(cyclopropylsulfamoylamino)pentanenitrile

C8H15N3O2S — CID 114389639

IUPAC3-(cyclopropylsulfamoylamino)pentanenitrile
SMILESCCC(CC#N)NS(=O)(=O)NC1CC1
InChIInChI=1S/C8H15N3O2S/c1-2-7(5-6-9)10-14(12,13)11-8-3-4-8/h7-8,10-11H,2-5H2,1H3
InChIKeyMEAJAFRZWDRUFD-UHFFFAOYSA-N
MW217.29 g/mol
LogP0.27
Rot. Bonds6

About 3-(cyclopropylsulfamoylamino)pentanenitrile

3-(cyclopropylsulfamoylamino)pentanenitrile (PubChem CID 114389639) has the molecular formula C8H15N3O2S and a molecular weight of 217.29 g/mol. Its IUPAC name is 3-(cyclopropylsulfamoylamino)pentanenitrile.

Molecular Properties

Compound Name3-(cyclopropylsulfamoylamino)pentanenitrile
PubChem CID114389639
Molecular FormulaC8H15N3O2S
Molecular Weight217.29 g/mol
Exact Mass217.09
IUPAC Name3-(cyclopropylsulfamoylamino)pentanenitrile
SMILESCCC(CC#N)NS(=O)(=O)NC1CC1
InChIInChI=1S/C8H15N3O2S/c1-2-7(5-6-9)10-14(12,13)11-8-3-4-8/h7-8,10-11H,2-5H2,1H3
InChIKeyMEAJAFRZWDRUFD-UHFFFAOYSA-N
XLogP0.27
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.29
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylsulfamoylamino)pentanenitrile?
The IUPAC name of 3-(cyclopropylsulfamoylamino)pentanenitrile (CID 114389639) is 3-(cyclopropylsulfamoylamino)pentanenitrile.
What is the SMILES notation for 3-(cyclopropylsulfamoylamino)pentanenitrile?
The canonical SMILES for 3-(cyclopropylsulfamoylamino)pentanenitrile is CCC(CC#N)NS(=O)(=O)NC1CC1.
What is the InChIKey of 3-(cyclopropylsulfamoylamino)pentanenitrile?
The InChIKey is MEAJAFRZWDRUFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O2S/c1-2-7(5-6-9)10-14(12,13)11-8-3-4-8/h7-8,10-11H,2-5H2,1H3.
What are the key properties of 3-(cyclopropylsulfamoylamino)pentanenitrile?
3-(cyclopropylsulfamoylamino)pentanenitrile has a molecular weight of 217.29 g/mol, XLogP of 0.27, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylsulfamoylamino)pentanenitrile is sourced from PubChem (CID 114389639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).