1-N-(cyclopropylsulfamoyl)pentane-1,4-diamine

C8H19N3O2S — CID 106125769

IUPAC1-N-(cyclopropylsulfamoyl)pentane-1,4-diamine
SMILESCC(N)CCCNS(=O)(=O)NC1CC1
InChIInChI=1S/C8H19N3O2S/c1-7(9)3-2-6-10-14(12,13)11-8-4-5-8/h7-8,10-11H,2-6,9H2,1H3
InChIKeySUICVNDYGIUCAD-UHFFFAOYSA-N
MW221.33 g/mol
LogP-0.30
Rot. Bonds7

About 1-N-(cyclopropylsulfamoyl)pentane-1,4-diamine

1-N-(cyclopropylsulfamoyl)pentane-1,4-diamine (PubChem CID 106125769) has the molecular formula C8H19N3O2S and a molecular weight of 221.33 g/mol. Its IUPAC name is 1-N-(cyclopropylsulfamoyl)pentane-1,4-diamine.

Molecular Properties

Compound Name1-N-(cyclopropylsulfamoyl)pentane-1,4-diamine
PubChem CID106125769
Molecular FormulaC8H19N3O2S
Molecular Weight221.33 g/mol
Exact Mass221.12
IUPAC Name1-N-(cyclopropylsulfamoyl)pentane-1,4-diamine
SMILESCC(N)CCCNS(=O)(=O)NC1CC1
InChIInChI=1S/C8H19N3O2S/c1-7(9)3-2-6-10-14(12,13)11-8-4-5-8/h7-8,10-11H,2-6,9H2,1H3
InChIKeySUICVNDYGIUCAD-UHFFFAOYSA-N
XLogP-0.30
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.33
LogP ≤ 5-0.30
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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Related Compounds

Hexyl(Hexylsulfamoyl)Amine
CID 15569647
(Cyclopropylsulfamoyl)(methyl)amine
CID 70271030
N-(butylsulfamoyl)cyclohexanamine
CID 15569633
N-(pentylsulfamoyl)pentan-1-amine
CID 87691893
N-(propan-2-ylsulfamoyl)cyclohexanamine
CID 759111
N-(pentylsulfamoyl)cyclohexanamine
CID 15569634
N-(hexylsulfamoyl)cyclohexanamine
CID 15569635
N-(butan-2-ylsulfamoyl)butan-2-amine
CID 134897087
N-(propan-2-ylsulfamoyl)cyclopentanamine
CID 57538874
N-(propan-2-ylsulfamoyl)cyclopropanamine
CID 57981830
N-(ethylsulfamoyl)cyclohexanamine
CID 59256304
N-(ethylsulfamoyl)cyclopropanamine
CID 68251613

Frequently Asked Questions

What is the IUPAC name of 1-N-(cyclopropylsulfamoyl)pentane-1,4-diamine?
The IUPAC name of 1-N-(cyclopropylsulfamoyl)pentane-1,4-diamine (CID 106125769) is 1-N-(cyclopropylsulfamoyl)pentane-1,4-diamine.
What is the SMILES notation for 1-N-(cyclopropylsulfamoyl)pentane-1,4-diamine?
The canonical SMILES for 1-N-(cyclopropylsulfamoyl)pentane-1,4-diamine is CC(N)CCCNS(=O)(=O)NC1CC1.
What is the InChIKey of 1-N-(cyclopropylsulfamoyl)pentane-1,4-diamine?
The InChIKey is SUICVNDYGIUCAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N3O2S/c1-7(9)3-2-6-10-14(12,13)11-8-4-5-8/h7-8,10-11H,2-6,9H2,1H3.
What are the key properties of 1-N-(cyclopropylsulfamoyl)pentane-1,4-diamine?
1-N-(cyclopropylsulfamoyl)pentane-1,4-diamine has a molecular weight of 221.33 g/mol, XLogP of -0.30, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(cyclopropylsulfamoyl)pentane-1,4-diamine is sourced from PubChem (CID 106125769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).