1-(dimethylsulfamoylamino)-3-ethyl-2-hydroxypentane

C9H22N2O3S — CID 103835164

IUPAC1-(dimethylsulfamoylamino)-3-ethyl-2-hydroxypentane
SMILESCCC(CC)C(O)CNS(=O)(=O)N(C)C
InChIInChI=1S/C9H22N2O3S/c1-5-8(6-2)9(12)7-10-15(13,14)11(3)4/h8-10,12H,5-7H2,1-4H3
InChIKeyMIALFGZECZWSRE-UHFFFAOYSA-N
MW238.35 g/mol
LogP0.18
Rot. Bonds7

About 1-(dimethylsulfamoylamino)-3-ethyl-2-hydroxypentane

1-(dimethylsulfamoylamino)-3-ethyl-2-hydroxypentane (PubChem CID 103835164) has the molecular formula C9H22N2O3S and a molecular weight of 238.35 g/mol. Its IUPAC name is 1-(dimethylsulfamoylamino)-3-ethyl-2-hydroxypentane.

Molecular Properties

Compound Name1-(dimethylsulfamoylamino)-3-ethyl-2-hydroxypentane
PubChem CID103835164
Molecular FormulaC9H22N2O3S
Molecular Weight238.35 g/mol
Exact Mass238.14
IUPAC Name1-(dimethylsulfamoylamino)-3-ethyl-2-hydroxypentane
SMILESCCC(CC)C(O)CNS(=O)(=O)N(C)C
InChIInChI=1S/C9H22N2O3S/c1-5-8(6-2)9(12)7-10-15(13,14)11(3)4/h8-10,12H,5-7H2,1-4H3
InChIKeyMIALFGZECZWSRE-UHFFFAOYSA-N
XLogP0.18
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.35
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(dimethylsulfamoylamino)-3-ethyl-2-hydroxypentane?
The IUPAC name of 1-(dimethylsulfamoylamino)-3-ethyl-2-hydroxypentane (CID 103835164) is 1-(dimethylsulfamoylamino)-3-ethyl-2-hydroxypentane.
What is the SMILES notation for 1-(dimethylsulfamoylamino)-3-ethyl-2-hydroxypentane?
The canonical SMILES for 1-(dimethylsulfamoylamino)-3-ethyl-2-hydroxypentane is CCC(CC)C(O)CNS(=O)(=O)N(C)C.
What is the InChIKey of 1-(dimethylsulfamoylamino)-3-ethyl-2-hydroxypentane?
The InChIKey is MIALFGZECZWSRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N2O3S/c1-5-8(6-2)9(12)7-10-15(13,14)11(3)4/h8-10,12H,5-7H2,1-4H3.
What are the key properties of 1-(dimethylsulfamoylamino)-3-ethyl-2-hydroxypentane?
1-(dimethylsulfamoylamino)-3-ethyl-2-hydroxypentane has a molecular weight of 238.35 g/mol, XLogP of 0.18, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylsulfamoylamino)-3-ethyl-2-hydroxypentane is sourced from PubChem (CID 103835164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).