1-cyano-2-(diethylsulfamoylamino)butane

Name: 1-cyano-2-(diethylsulfamoylamino)butane — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₉H₁₉N₃O₂S — CID 62645650

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC1-cyano-2-(diethylsulfamoylamino)butane

SMILESCCC(CC#N)NS(=O)(=O)N(CC)CC

InChIInChI=1S/C9H19N3O2S/c1-4-9(7-8-10)11-15(13,14)12(5-2)6-3/h9,11H,4-7H2,1-3H3

InChIKeyIIYQDHAKWZJIKE-UHFFFAOYSA-N

MW233.34 g/mol

LogP0.85

Rot. Bonds7

About 1-cyano-2-(diethylsulfamoylamino)butane

1-cyano-2-(diethylsulfamoylamino)butane (PubChem CID 62645650) has the molecular formula C₉H₁₉N₃O₂S and a molecular weight of 233.34 g/mol. Its IUPAC name is 1-cyano-2-(diethylsulfamoylamino)butane.

Molecular Properties

Compound Name	1-cyano-2-(diethylsulfamoylamino)butane
PubChem CID	62645650
Molecular Formula	C₉H₁₉N₃O₂S
Molecular Weight	233.34 g/mol
Exact Mass	233.12
IUPAC Name	1-cyano-2-(diethylsulfamoylamino)butane
SMILES	CCC(CC#N)NS(=O)(=O)N(CC)CC
InChI	InChI=1S/C9H19N3O2S/c1-4-9(7-8-10)11-15(13,14)12(5-2)6-3/h9,11H,4-7H2,1-3H3
InChIKey	IIYQDHAKWZJIKE-UHFFFAOYSA-N
XLogP	0.85
TPSA	73.20 Å²
H-Bond Donors	1
H-Bond Acceptors	3
Rotatable Bonds	7
Heavy Atoms	15
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	233.34
LogP ≤ 5	0.85
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 1-cyano-2-(diethylsulfamoylamino)butane?

The IUPAC name of 1-cyano-2-(diethylsulfamoylamino)butane (CID 62645650) is 1-cyano-2-(diethylsulfamoylamino)butane.

What is the SMILES notation for 1-cyano-2-(diethylsulfamoylamino)butane?

The canonical SMILES for 1-cyano-2-(diethylsulfamoylamino)butane is CCC(CC#N)NS(=O)(=O)N(CC)CC.

What is the InChIKey of 1-cyano-2-(diethylsulfamoylamino)butane?

The InChIKey is IIYQDHAKWZJIKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O2S/c1-4-9(7-8-10)11-15(13,14)12(5-2)6-3/h9,11H,4-7H2,1-3H3.

What are the key properties of 1-cyano-2-(diethylsulfamoylamino)butane?

1-cyano-2-(diethylsulfamoylamino)butane has a molecular weight of 233.34 g/mol, XLogP of 0.85, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1-cyano-2-(diethylsulfamoylamino)butane is sourced from PubChem (CID 62645650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 62645650 — identifiers, structure, computed properties (public domain)

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