3-[(dimethylsulfamoylamino)methyl]-3-hydroxypentane

C8H20N2O3S — CID 65113008

IUPAC3-[(dimethylsulfamoylamino)methyl]-3-hydroxypentane
SMILESCCC(O)(CC)CNS(=O)(=O)N(C)C
InChIInChI=1S/C8H20N2O3S/c1-5-8(11,6-2)7-9-14(12,13)10(3)4/h9,11H,5-7H2,1-4H3
InChIKeyDGKQDZPBXJKKFB-UHFFFAOYSA-N
MW224.33 g/mol
LogP-0.07
Rot. Bonds6

About 3-[(dimethylsulfamoylamino)methyl]-3-hydroxypentane

3-[(dimethylsulfamoylamino)methyl]-3-hydroxypentane (PubChem CID 65113008) has the molecular formula C8H20N2O3S and a molecular weight of 224.33 g/mol. Its IUPAC name is 3-[(dimethylsulfamoylamino)methyl]-3-hydroxypentane.

Molecular Properties

Compound Name3-[(dimethylsulfamoylamino)methyl]-3-hydroxypentane
PubChem CID65113008
Molecular FormulaC8H20N2O3S
Molecular Weight224.33 g/mol
Exact Mass224.12
IUPAC Name3-[(dimethylsulfamoylamino)methyl]-3-hydroxypentane
SMILESCCC(O)(CC)CNS(=O)(=O)N(C)C
InChIInChI=1S/C8H20N2O3S/c1-5-8(11,6-2)7-9-14(12,13)10(3)4/h9,11H,5-7H2,1-4H3
InChIKeyDGKQDZPBXJKKFB-UHFFFAOYSA-N
XLogP-0.07
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.33
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(dimethylsulfamoylamino)methyl]-3-hydroxypentane?
The IUPAC name of 3-[(dimethylsulfamoylamino)methyl]-3-hydroxypentane (CID 65113008) is 3-[(dimethylsulfamoylamino)methyl]-3-hydroxypentane.
What is the SMILES notation for 3-[(dimethylsulfamoylamino)methyl]-3-hydroxypentane?
The canonical SMILES for 3-[(dimethylsulfamoylamino)methyl]-3-hydroxypentane is CCC(O)(CC)CNS(=O)(=O)N(C)C.
What is the InChIKey of 3-[(dimethylsulfamoylamino)methyl]-3-hydroxypentane?
The InChIKey is DGKQDZPBXJKKFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N2O3S/c1-5-8(11,6-2)7-9-14(12,13)10(3)4/h9,11H,5-7H2,1-4H3.
What are the key properties of 3-[(dimethylsulfamoylamino)methyl]-3-hydroxypentane?
3-[(dimethylsulfamoylamino)methyl]-3-hydroxypentane has a molecular weight of 224.33 g/mol, XLogP of -0.07, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(dimethylsulfamoylamino)methyl]-3-hydroxypentane is sourced from PubChem (CID 65113008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).