2-(dipropylsulfamoylamino)-1-hydroxy-4-methylpentane

C12H28N2O3S — CID 61246970

IUPAC2-(dipropylsulfamoylamino)-1-hydroxy-4-methylpentane
SMILESCCCN(CCC)S(=O)(=O)NC(CO)CC(C)C
InChIInChI=1S/C12H28N2O3S/c1-5-7-14(8-6-2)18(16,17)13-12(10-15)9-11(3)4/h11-13,15H,5-10H2,1-4H3
InChIKeyRNDVLZCIPLZTHQ-UHFFFAOYSA-N
MW280.43 g/mol
LogP1.35
Rot. Bonds10

About 2-(dipropylsulfamoylamino)-1-hydroxy-4-methylpentane

2-(dipropylsulfamoylamino)-1-hydroxy-4-methylpentane (PubChem CID 61246970) has the molecular formula C12H28N2O3S and a molecular weight of 280.43 g/mol. Its IUPAC name is 2-(dipropylsulfamoylamino)-1-hydroxy-4-methylpentane.

Molecular Properties

Compound Name2-(dipropylsulfamoylamino)-1-hydroxy-4-methylpentane
PubChem CID61246970
Molecular FormulaC12H28N2O3S
Molecular Weight280.43 g/mol
Exact Mass280.18
IUPAC Name2-(dipropylsulfamoylamino)-1-hydroxy-4-methylpentane
SMILESCCCN(CCC)S(=O)(=O)NC(CO)CC(C)C
InChIInChI=1S/C12H28N2O3S/c1-5-7-14(8-6-2)18(16,17)13-12(10-15)9-11(3)4/h11-13,15H,5-10H2,1-4H3
InChIKeyRNDVLZCIPLZTHQ-UHFFFAOYSA-N
XLogP1.35
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.43
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(dipropylsulfamoylamino)-1-hydroxy-4-methylpentane?
The IUPAC name of 2-(dipropylsulfamoylamino)-1-hydroxy-4-methylpentane (CID 61246970) is 2-(dipropylsulfamoylamino)-1-hydroxy-4-methylpentane.
What is the SMILES notation for 2-(dipropylsulfamoylamino)-1-hydroxy-4-methylpentane?
The canonical SMILES for 2-(dipropylsulfamoylamino)-1-hydroxy-4-methylpentane is CCCN(CCC)S(=O)(=O)NC(CO)CC(C)C.
What is the InChIKey of 2-(dipropylsulfamoylamino)-1-hydroxy-4-methylpentane?
The InChIKey is RNDVLZCIPLZTHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2O3S/c1-5-7-14(8-6-2)18(16,17)13-12(10-15)9-11(3)4/h11-13,15H,5-10H2,1-4H3.
What are the key properties of 2-(dipropylsulfamoylamino)-1-hydroxy-4-methylpentane?
2-(dipropylsulfamoylamino)-1-hydroxy-4-methylpentane has a molecular weight of 280.43 g/mol, XLogP of 1.35, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dipropylsulfamoylamino)-1-hydroxy-4-methylpentane is sourced from PubChem (CID 61246970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).