3-N-(cyclopropylsulfamoyl)-3-methylpentane-1,3-diamine

C9H21N3O2S — CID 106165272

IUPAC3-N-(cyclopropylsulfamoyl)-3-methylpentane-1,3-diamine
SMILESCCC(C)(CCN)NS(=O)(=O)NC1CC1
InChIInChI=1S/C9H21N3O2S/c1-3-9(2,6-7-10)12-15(13,14)11-8-4-5-8/h8,11-12H,3-7,10H2,1-2H3
InChIKeyRVHCKVFJAYQVJB-UHFFFAOYSA-N
MW235.35 g/mol
LogP0.09
Rot. Bonds7

About 3-N-(cyclopropylsulfamoyl)-3-methylpentane-1,3-diamine

3-N-(cyclopropylsulfamoyl)-3-methylpentane-1,3-diamine (PubChem CID 106165272) has the molecular formula C9H21N3O2S and a molecular weight of 235.35 g/mol. Its IUPAC name is 3-N-(cyclopropylsulfamoyl)-3-methylpentane-1,3-diamine.

Molecular Properties

Compound Name3-N-(cyclopropylsulfamoyl)-3-methylpentane-1,3-diamine
PubChem CID106165272
Molecular FormulaC9H21N3O2S
Molecular Weight235.35 g/mol
Exact Mass235.14
IUPAC Name3-N-(cyclopropylsulfamoyl)-3-methylpentane-1,3-diamine
SMILESCCC(C)(CCN)NS(=O)(=O)NC1CC1
InChIInChI=1S/C9H21N3O2S/c1-3-9(2,6-7-10)12-15(13,14)11-8-4-5-8/h8,11-12H,3-7,10H2,1-2H3
InChIKeyRVHCKVFJAYQVJB-UHFFFAOYSA-N
XLogP0.09
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 50.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-methyl-2-propan-2-ylbutyl)sulfamoyl]cyclopropanamine
CID 102912910
1-[(Cyclopropylsulfamoylamino)methyl]cyclobutan-1-amine
CID 103352840
1-Ethyl-2-(sulfamoylamino)cyclopropane
CID 103670115
1-[[3-Aminopropyl(methyl)sulfamoyl]amino]-2-ethylcyclopropane
CID 105751566
N-(cyclopropylsulfamoyl)-2-propylbutane-1,4-diamine
CID 106116363
1-N-(cyclopropylsulfamoyl)pentane-1,4-diamine
CID 106125769
1-N-(tert-butylsulfamoyl)pentane-1,4-diamine
CID 106125803
N-(cyclopropylsulfamoyl)-2,2-dimethylpentane-1,5-diamine
CID 106141767
N'-(cyclopropylsulfamoyl)-2-methylpentane-1,5-diamine
CID 106154211
3-methyl-3-N-(2-methylpropylsulfamoyl)pentane-1,3-diamine
CID 106165190
3-methyl-3-N-(propan-2-ylsulfamoyl)pentane-1,3-diamine
CID 106165269
1-Amino-3-(diethylsulfamoylamino)-3-methylpentane
CID 106165284

Frequently Asked Questions

What is the IUPAC name of 3-N-(cyclopropylsulfamoyl)-3-methylpentane-1,3-diamine?
The IUPAC name of 3-N-(cyclopropylsulfamoyl)-3-methylpentane-1,3-diamine (CID 106165272) is 3-N-(cyclopropylsulfamoyl)-3-methylpentane-1,3-diamine.
What is the SMILES notation for 3-N-(cyclopropylsulfamoyl)-3-methylpentane-1,3-diamine?
The canonical SMILES for 3-N-(cyclopropylsulfamoyl)-3-methylpentane-1,3-diamine is CCC(C)(CCN)NS(=O)(=O)NC1CC1.
What is the InChIKey of 3-N-(cyclopropylsulfamoyl)-3-methylpentane-1,3-diamine?
The InChIKey is RVHCKVFJAYQVJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3O2S/c1-3-9(2,6-7-10)12-15(13,14)11-8-4-5-8/h8,11-12H,3-7,10H2,1-2H3.
What are the key properties of 3-N-(cyclopropylsulfamoyl)-3-methylpentane-1,3-diamine?
3-N-(cyclopropylsulfamoyl)-3-methylpentane-1,3-diamine has a molecular weight of 235.35 g/mol, XLogP of 0.09, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(cyclopropylsulfamoyl)-3-methylpentane-1,3-diamine is sourced from PubChem (CID 106165272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).