1-N-(tert-butylsulfamoyl)pentane-1,4-diamine

C9H23N3O2S — CID 106125803

IUPAC1-N-(tert-butylsulfamoyl)pentane-1,4-diamine
SMILESCC(N)CCCNS(=O)(=O)NC(C)(C)C
InChIInChI=1S/C9H23N3O2S/c1-8(10)6-5-7-11-15(13,14)12-9(2,3)4/h8,11-12H,5-7,10H2,1-4H3
InChIKeyJPZGVRWSUQGTIW-UHFFFAOYSA-N
MW237.37 g/mol
LogP0.34
Rot. Bonds6

About 1-N-(tert-butylsulfamoyl)pentane-1,4-diamine

1-N-(tert-butylsulfamoyl)pentane-1,4-diamine (PubChem CID 106125803) has the molecular formula C9H23N3O2S and a molecular weight of 237.37 g/mol. Its IUPAC name is 1-N-(tert-butylsulfamoyl)pentane-1,4-diamine.

Molecular Properties

Compound Name1-N-(tert-butylsulfamoyl)pentane-1,4-diamine
PubChem CID106125803
Molecular FormulaC9H23N3O2S
Molecular Weight237.37 g/mol
Exact Mass237.15
IUPAC Name1-N-(tert-butylsulfamoyl)pentane-1,4-diamine
SMILESCC(N)CCCNS(=O)(=O)NC(C)(C)C
InChIInChI=1S/C9H23N3O2S/c1-8(10)6-5-7-11-15(13,14)12-9(2,3)4/h8,11-12H,5-7,10H2,1-4H3
InChIKeyJPZGVRWSUQGTIW-UHFFFAOYSA-N
XLogP0.34
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.37
LogP ≤ 50.34
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
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
2-methyl-N-(propan-2-ylsulfamoyl)butan-2-amine
CID 131863190
N-(butan-2-ylsulfamoyl)butan-2-amine
CID 134897087
N-(tert-butylsulfamoyl)cyclohexanamine
CID 15677400
3-methyl-N-(propan-2-ylsulfamoyl)butan-1-amine
CID 22966184
4-methyl-N-(propan-2-ylsulfamoyl)pentan-1-amine
CID 22966185
N-(propan-2-ylsulfamoyl)cyclopentanamine
CID 57538874

Frequently Asked Questions

What is the IUPAC name of 1-N-(tert-butylsulfamoyl)pentane-1,4-diamine?
The IUPAC name of 1-N-(tert-butylsulfamoyl)pentane-1,4-diamine (CID 106125803) is 1-N-(tert-butylsulfamoyl)pentane-1,4-diamine.
What is the SMILES notation for 1-N-(tert-butylsulfamoyl)pentane-1,4-diamine?
The canonical SMILES for 1-N-(tert-butylsulfamoyl)pentane-1,4-diamine is CC(N)CCCNS(=O)(=O)NC(C)(C)C.
What is the InChIKey of 1-N-(tert-butylsulfamoyl)pentane-1,4-diamine?
The InChIKey is JPZGVRWSUQGTIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H23N3O2S/c1-8(10)6-5-7-11-15(13,14)12-9(2,3)4/h8,11-12H,5-7,10H2,1-4H3.
What are the key properties of 1-N-(tert-butylsulfamoyl)pentane-1,4-diamine?
1-N-(tert-butylsulfamoyl)pentane-1,4-diamine has a molecular weight of 237.37 g/mol, XLogP of 0.34, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(tert-butylsulfamoyl)pentane-1,4-diamine is sourced from PubChem (CID 106125803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).