N-(cyclopropylsulfamoyl)-2-propylbutane-1,4-diamine

C10H23N3O2S — CID 106116363

IUPACN-(cyclopropylsulfamoyl)-2-propylbutane-1,4-diamine
SMILESCCCC(CCN)CNS(=O)(=O)NC1CC1
InChIInChI=1S/C10H23N3O2S/c1-2-3-9(6-7-11)8-12-16(14,15)13-10-4-5-10/h9-10,12-13H,2-8,11H2,1H3
InChIKeyITUNZWBDLKVYNL-UHFFFAOYSA-N
MW249.38 g/mol
LogP0.34
Rot. Bonds9

About N-(cyclopropylsulfamoyl)-2-propylbutane-1,4-diamine

N-(cyclopropylsulfamoyl)-2-propylbutane-1,4-diamine (PubChem CID 106116363) has the molecular formula C10H23N3O2S and a molecular weight of 249.38 g/mol. Its IUPAC name is N-(cyclopropylsulfamoyl)-2-propylbutane-1,4-diamine.

Molecular Properties

Compound NameN-(cyclopropylsulfamoyl)-2-propylbutane-1,4-diamine
PubChem CID106116363
Molecular FormulaC10H23N3O2S
Molecular Weight249.38 g/mol
Exact Mass249.15
IUPAC NameN-(cyclopropylsulfamoyl)-2-propylbutane-1,4-diamine
SMILESCCCC(CCN)CNS(=O)(=O)NC1CC1
InChIInChI=1S/C10H23N3O2S/c1-2-3-9(6-7-11)8-12-16(14,15)13-10-4-5-10/h9-10,12-13H,2-8,11H2,1H3
InChIKeyITUNZWBDLKVYNL-UHFFFAOYSA-N
XLogP0.34
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.38
LogP ≤ 50.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-Methylheptan-2-ylsulfamic acid
CID 21497854
4-methyl-N-(propan-2-ylsulfamoyl)pentan-1-amine
CID 22966185
4-Methyl-3-(sulfinatoamino)heptane
CID 57421727
3-Methyl-4-(sulfinatoamino)heptane
CID 57467028
3-[(Sulfamoylamino)methyl]heptane
CID 87574850
(2-Methyl-3-propan-2-ylcyclopropyl)sulfamic acid
CID 89616252
4-methyl-N-(methylsulfamoyl)cyclohexan-1-amine
CID 89949817
5-Methyl-1-(sulfamoylamino)hexane
CID 112692643
[(2R)-2-propylcyclopropyl]sulfamic acid
CID 117646233
4-[2-(Sulfamoylamino)ethyl]heptane
CID 137536924
N-[2-amino-2-(2-methylcyclopropyl)ethyl]methanesulfonamide
CID 146637095
2-Methyl-5-(sulfinatoamino)hexane
CID 151820645

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylsulfamoyl)-2-propylbutane-1,4-diamine?
The IUPAC name of N-(cyclopropylsulfamoyl)-2-propylbutane-1,4-diamine (CID 106116363) is N-(cyclopropylsulfamoyl)-2-propylbutane-1,4-diamine.
What is the SMILES notation for N-(cyclopropylsulfamoyl)-2-propylbutane-1,4-diamine?
The canonical SMILES for N-(cyclopropylsulfamoyl)-2-propylbutane-1,4-diamine is CCCC(CCN)CNS(=O)(=O)NC1CC1.
What is the InChIKey of N-(cyclopropylsulfamoyl)-2-propylbutane-1,4-diamine?
The InChIKey is ITUNZWBDLKVYNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N3O2S/c1-2-3-9(6-7-11)8-12-16(14,15)13-10-4-5-10/h9-10,12-13H,2-8,11H2,1H3.
What are the key properties of N-(cyclopropylsulfamoyl)-2-propylbutane-1,4-diamine?
N-(cyclopropylsulfamoyl)-2-propylbutane-1,4-diamine has a molecular weight of 249.38 g/mol, XLogP of 0.34, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylsulfamoyl)-2-propylbutane-1,4-diamine is sourced from PubChem (CID 106116363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).