2-(propan-2-ylsulfamoylamino)butanenitrile

C7H15N3O2S — CID 114807678

IUPAC2-(propan-2-ylsulfamoylamino)butanenitrile
SMILESCCC(C#N)NS(=O)(=O)NC(C)C
InChIInChI=1S/C7H15N3O2S/c1-4-7(5-8)10-13(11,12)9-6(2)3/h6-7,9-10H,4H2,1-3H3
InChIKeyMGEDFIURBATCLG-UHFFFAOYSA-N
MW205.28 g/mol
LogP0.12
Rot. Bonds5

About 2-(propan-2-ylsulfamoylamino)butanenitrile

2-(propan-2-ylsulfamoylamino)butanenitrile (PubChem CID 114807678) has the molecular formula C7H15N3O2S and a molecular weight of 205.28 g/mol. Its IUPAC name is 2-(propan-2-ylsulfamoylamino)butanenitrile.

Molecular Properties

Compound Name2-(propan-2-ylsulfamoylamino)butanenitrile
PubChem CID114807678
Molecular FormulaC7H15N3O2S
Molecular Weight205.28 g/mol
Exact Mass205.09
IUPAC Name2-(propan-2-ylsulfamoylamino)butanenitrile
SMILESCCC(C#N)NS(=O)(=O)NC(C)C
InChIInChI=1S/C7H15N3O2S/c1-4-7(5-8)10-13(11,12)9-6(2)3/h6-7,9-10H,4H2,1-3H3
InChIKeyMGEDFIURBATCLG-UHFFFAOYSA-N
XLogP0.12
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
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-(ethylsulfamoylamino)butanenitrile
CID 114807676
1-cyano-N-[(2R)-1-hydroxybutan-2-yl]ethanesulfonamide
CID 104868962
4-(1-cyanopropylsulfamoyl)benzenesulfonyl fluoride
CID 126819584
N-(1-cyanopropyl)oxane-4-sulfonamide
CID 62048262
N-(1-cyanopropyl)-1H-pyrazole-5-sulfonamide
CID 102691097
(2S)-3-methyl-2-(propan-2-ylsulfamoylamino)pentanoic acid
CID 104977898
N-(1-cyanobutyl)ethanesulfonamide
CID 61125057
N-(1-cyanopropyl)formamide
CID 19979685
5-cyano-N-(1-cyanopropyl)thiophene-2-sulfonamide
CID 106266730
3,4-dichloro-N-(1-cyanopropyl)benzenesulfonamide
CID 61123449
2-cyano-N-[(1S)-1-cyanopropyl]propanamide
CID 131154745
N-(1-cyanopropyl)-1-ethylimidazole-4-sulfonamide
CID 79372678

Frequently Asked Questions

What is the IUPAC name of 2-(propan-2-ylsulfamoylamino)butanenitrile?
The IUPAC name of 2-(propan-2-ylsulfamoylamino)butanenitrile (CID 114807678) is 2-(propan-2-ylsulfamoylamino)butanenitrile.
What is the SMILES notation for 2-(propan-2-ylsulfamoylamino)butanenitrile?
The canonical SMILES for 2-(propan-2-ylsulfamoylamino)butanenitrile is CCC(C#N)NS(=O)(=O)NC(C)C.
What is the InChIKey of 2-(propan-2-ylsulfamoylamino)butanenitrile?
The InChIKey is MGEDFIURBATCLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3O2S/c1-4-7(5-8)10-13(11,12)9-6(2)3/h6-7,9-10H,4H2,1-3H3.
What are the key properties of 2-(propan-2-ylsulfamoylamino)butanenitrile?
2-(propan-2-ylsulfamoylamino)butanenitrile has a molecular weight of 205.28 g/mol, XLogP of 0.12, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(propan-2-ylsulfamoylamino)butanenitrile is sourced from PubChem (CID 114807678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).