3-N-(tert-butylsulfamoyl)pentane-1,3-diamine

C9H23N3O2S — CID 114803978

IUPAC3-N-(tert-butylsulfamoyl)pentane-1,3-diamine
SMILESCCC(CCN)NS(=O)(=O)NC(C)(C)C
InChIInChI=1S/C9H23N3O2S/c1-5-8(6-7-10)11-15(13,14)12-9(2,3)4/h8,11-12H,5-7,10H2,1-4H3
InChIKeyXLLJLZPORQAILV-UHFFFAOYSA-N
MW237.37 g/mol
LogP0.34
Rot. Bonds6

About 3-N-(tert-butylsulfamoyl)pentane-1,3-diamine

3-N-(tert-butylsulfamoyl)pentane-1,3-diamine (PubChem CID 114803978) has the molecular formula C9H23N3O2S and a molecular weight of 237.37 g/mol. Its IUPAC name is 3-N-(tert-butylsulfamoyl)pentane-1,3-diamine.

Molecular Properties

Compound Name3-N-(tert-butylsulfamoyl)pentane-1,3-diamine
PubChem CID114803978
Molecular FormulaC9H23N3O2S
Molecular Weight237.37 g/mol
Exact Mass237.15
IUPAC Name3-N-(tert-butylsulfamoyl)pentane-1,3-diamine
SMILESCCC(CCN)NS(=O)(=O)NC(C)(C)C
InChIInChI=1S/C9H23N3O2S/c1-5-8(6-7-10)11-15(13,14)12-9(2,3)4/h8,11-12H,5-7,10H2,1-4H3
InChIKeyXLLJLZPORQAILV-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

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Related Compounds

(2R)-2-(tert-butylsulfamoylamino)butan-1-ol
CID 104978099
ethyl N-(1-aminopentan-3-ylsulfamoyl)carbamate
CID 114461389
2-N-(tert-butylsulfamoyl)-3-methylbutane-1,2-diamine
CID 114804054
2-(tert-butylsulfamoylamino)pentanoic acid
CID 114805519
3-N-butan-2-ylpentane-1,3-diamine
CID 79687854
4-methoxy-3-N-(propan-2-ylsulfamoyl)butane-1,3-diamine
CID 106153951
3-ethylsulfonyl-4,4,4-trifluorobutan-1-amine
CID 64696760
N'-(tert-butylsulfamoyl)-2,2-diethylpropane-1,3-diamine
CID 106251175
3-N-(cyclopropylsulfamoyl)-4-methoxybutane-1,3-diamine
CID 106153953
(2R)-2-(tert-butylsulfamoylamino)butanedioic acid
CID 104977979
methyl 2-(tert-butylsulfamoylamino)-3-methylbutanoate
CID 114811428
methyl N-(1-aminopentan-3-yl)carbamate
CID 62651614

Frequently Asked Questions

What is the IUPAC name of 3-N-(tert-butylsulfamoyl)pentane-1,3-diamine?
The IUPAC name of 3-N-(tert-butylsulfamoyl)pentane-1,3-diamine (CID 114803978) is 3-N-(tert-butylsulfamoyl)pentane-1,3-diamine.
What is the SMILES notation for 3-N-(tert-butylsulfamoyl)pentane-1,3-diamine?
The canonical SMILES for 3-N-(tert-butylsulfamoyl)pentane-1,3-diamine is CCC(CCN)NS(=O)(=O)NC(C)(C)C.
What is the InChIKey of 3-N-(tert-butylsulfamoyl)pentane-1,3-diamine?
The InChIKey is XLLJLZPORQAILV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H23N3O2S/c1-5-8(6-7-10)11-15(13,14)12-9(2,3)4/h8,11-12H,5-7,10H2,1-4H3.
What are the key properties of 3-N-(tert-butylsulfamoyl)pentane-1,3-diamine?
3-N-(tert-butylsulfamoyl)pentane-1,3-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 3-N-(tert-butylsulfamoyl)pentane-1,3-diamine is sourced from PubChem (CID 114803978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).