1-amino-2-(dipropylsulfamoylamino)hexane

C12H29N3O2S — CID 80696553

IUPAC1-amino-2-(dipropylsulfamoylamino)hexane
SMILESCCCCC(CN)NS(=O)(=O)N(CCC)CCC
InChIInChI=1S/C12H29N3O2S/c1-4-7-8-12(11-13)14-18(16,17)15(9-5-2)10-6-3/h12,14H,4-11,13H2,1-3H3
InChIKeyCDEXCWFYZGGZRR-UHFFFAOYSA-N
MW279.45 g/mol
LogP1.46
Rot. Bonds11

About 1-amino-2-(dipropylsulfamoylamino)hexane

1-amino-2-(dipropylsulfamoylamino)hexane (PubChem CID 80696553) has the molecular formula C12H29N3O2S and a molecular weight of 279.45 g/mol. Its IUPAC name is 1-amino-2-(dipropylsulfamoylamino)hexane.

Molecular Properties

Compound Name1-amino-2-(dipropylsulfamoylamino)hexane
PubChem CID80696553
Molecular FormulaC12H29N3O2S
Molecular Weight279.45 g/mol
Exact Mass279.20
IUPAC Name1-amino-2-(dipropylsulfamoylamino)hexane
SMILESCCCCC(CN)NS(=O)(=O)N(CCC)CCC
InChIInChI=1S/C12H29N3O2S/c1-4-7-8-12(11-13)14-18(16,17)15(9-5-2)10-6-3/h12,14H,4-11,13H2,1-3H3
InChIKeyCDEXCWFYZGGZRR-UHFFFAOYSA-N
XLogP1.46
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.45
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-2-(sulfamoylamino)hexane
CID 114959420
N-(1-aminohexan-2-yl)propane-1-sulfonamide;hydrochloride
CID 119993242
2-N-(propan-2-ylsulfamoyl)hexane-1,2-diamine;hydrochloride
CID 120875561
[1-aminohexan-2-ylsulfamoyl(methyl)amino]methylbenzene
CID 80698399
1-[propan-2-ylsulfamoyl(propyl)amino]propane
CID 60750604
N-(1-aminohexan-2-yl)-2,2-dimethylpropane-1-sulfonamide
CID 80696971
2-(1-aminohexan-2-ylsulfamoyl)acetic acid
CID 80698128
N-(1-aminohexan-2-yl)-2-ethylbutane-1-sulfonamide;hydrochloride
CID 119993074
N-(1-aminohexan-2-yl)-2-methylbutane-1-sulfonamide;hydrochloride
CID 119993260
N-(1-aminohexan-2-yl)benzenesulfonamide;hydrochloride
CID 119993034
[2-amino-1-(dipropylsulfamoylamino)ethyl]cyclohexane
CID 115309320
N-(1-aminohexan-2-yl)morpholine-4-sulfonamide
CID 80696386

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-(dipropylsulfamoylamino)hexane?
The IUPAC name of 1-amino-2-(dipropylsulfamoylamino)hexane (CID 80696553) is 1-amino-2-(dipropylsulfamoylamino)hexane.
What is the SMILES notation for 1-amino-2-(dipropylsulfamoylamino)hexane?
The canonical SMILES for 1-amino-2-(dipropylsulfamoylamino)hexane is CCCCC(CN)NS(=O)(=O)N(CCC)CCC.
What is the InChIKey of 1-amino-2-(dipropylsulfamoylamino)hexane?
The InChIKey is CDEXCWFYZGGZRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H29N3O2S/c1-4-7-8-12(11-13)14-18(16,17)15(9-5-2)10-6-3/h12,14H,4-11,13H2,1-3H3.
What are the key properties of 1-amino-2-(dipropylsulfamoylamino)hexane?
1-amino-2-(dipropylsulfamoylamino)hexane has a molecular weight of 279.45 g/mol, XLogP of 1.46, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-(dipropylsulfamoylamino)hexane is sourced from PubChem (CID 80696553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).