N'-(cyclopropylsulfamoyl)butane-1,4-diamine

C7H17N3O2S — CID 114803959

IUPACN'-(cyclopropylsulfamoyl)butane-1,4-diamine
SMILESNCCCCNS(=O)(=O)NC1CC1
InChIInChI=1S/C7H17N3O2S/c8-5-1-2-6-9-13(11,12)10-7-3-4-7/h7,9-10H,1-6,8H2
InChIKeyNJPBXLBSTKKFMR-UHFFFAOYSA-N
MW207.30 g/mol
LogP-0.69
Rot. Bonds7

About N'-(cyclopropylsulfamoyl)butane-1,4-diamine

N'-(cyclopropylsulfamoyl)butane-1,4-diamine (PubChem CID 114803959) has the molecular formula C7H17N3O2S and a molecular weight of 207.30 g/mol. Its IUPAC name is N'-(cyclopropylsulfamoyl)butane-1,4-diamine.

Molecular Properties

Compound NameN'-(cyclopropylsulfamoyl)butane-1,4-diamine
PubChem CID114803959
Molecular FormulaC7H17N3O2S
Molecular Weight207.30 g/mol
Exact Mass207.10
IUPAC NameN'-(cyclopropylsulfamoyl)butane-1,4-diamine
SMILESNCCCCNS(=O)(=O)NC1CC1
InChIInChI=1S/C7H17N3O2S/c8-5-1-2-6-9-13(11,12)10-7-3-4-7/h7,9-10H,1-6,8H2
InChIKeyNJPBXLBSTKKFMR-UHFFFAOYSA-N
XLogP-0.69
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.30
LogP ≤ 5-0.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-(cyclopropylsulfamoyl)butane-1,4-diamine?
The IUPAC name of N'-(cyclopropylsulfamoyl)butane-1,4-diamine (CID 114803959) is N'-(cyclopropylsulfamoyl)butane-1,4-diamine.
What is the SMILES notation for N'-(cyclopropylsulfamoyl)butane-1,4-diamine?
The canonical SMILES for N'-(cyclopropylsulfamoyl)butane-1,4-diamine is NCCCCNS(=O)(=O)NC1CC1.
What is the InChIKey of N'-(cyclopropylsulfamoyl)butane-1,4-diamine?
The InChIKey is NJPBXLBSTKKFMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17N3O2S/c8-5-1-2-6-9-13(11,12)10-7-3-4-7/h7,9-10H,1-6,8H2.
What are the key properties of N'-(cyclopropylsulfamoyl)butane-1,4-diamine?
N'-(cyclopropylsulfamoyl)butane-1,4-diamine has a molecular weight of 207.30 g/mol, XLogP of -0.69, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(cyclopropylsulfamoyl)butane-1,4-diamine is sourced from PubChem (CID 114803959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).