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

C10H24N2O3S — CID 61247110

IUPAC2-(diethylsulfamoylamino)-1-hydroxy-4-methylpentane
SMILESCCN(CC)S(=O)(=O)NC(CO)CC(C)C
InChIInChI=1S/C10H24N2O3S/c1-5-12(6-2)16(14,15)11-10(8-13)7-9(3)4/h9-11,13H,5-8H2,1-4H3
InChIKeyBOYRQYXWCCRQRL-UHFFFAOYSA-N
MW252.38 g/mol
LogP0.57
Rot. Bonds8

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

2-(diethylsulfamoylamino)-1-hydroxy-4-methylpentane (PubChem CID 61247110) has the molecular formula C10H24N2O3S and a molecular weight of 252.38 g/mol. Its IUPAC name is 2-(diethylsulfamoylamino)-1-hydroxy-4-methylpentane.

Molecular Properties

Compound Name2-(diethylsulfamoylamino)-1-hydroxy-4-methylpentane
PubChem CID61247110
Molecular FormulaC10H24N2O3S
Molecular Weight252.38 g/mol
Exact Mass252.15
IUPAC Name2-(diethylsulfamoylamino)-1-hydroxy-4-methylpentane
SMILESCCN(CC)S(=O)(=O)NC(CO)CC(C)C
InChIInChI=1S/C10H24N2O3S/c1-5-12(6-2)16(14,15)11-10(8-13)7-9(3)4/h9-11,13H,5-8H2,1-4H3
InChIKeyBOYRQYXWCCRQRL-UHFFFAOYSA-N
XLogP0.57
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(diethylsulfamoylamino)-1-hydroxy-4-methylpentane?
The IUPAC name of 2-(diethylsulfamoylamino)-1-hydroxy-4-methylpentane (CID 61247110) is 2-(diethylsulfamoylamino)-1-hydroxy-4-methylpentane.
What is the SMILES notation for 2-(diethylsulfamoylamino)-1-hydroxy-4-methylpentane?
The canonical SMILES for 2-(diethylsulfamoylamino)-1-hydroxy-4-methylpentane is CCN(CC)S(=O)(=O)NC(CO)CC(C)C.
What is the InChIKey of 2-(diethylsulfamoylamino)-1-hydroxy-4-methylpentane?
The InChIKey is BOYRQYXWCCRQRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N2O3S/c1-5-12(6-2)16(14,15)11-10(8-13)7-9(3)4/h9-11,13H,5-8H2,1-4H3.
What are the key properties of 2-(diethylsulfamoylamino)-1-hydroxy-4-methylpentane?
2-(diethylsulfamoylamino)-1-hydroxy-4-methylpentane has a molecular weight of 252.38 g/mol, XLogP of 0.57, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylsulfamoylamino)-1-hydroxy-4-methylpentane is sourced from PubChem (CID 61247110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).