4-methyl-1-(methylsulfamoylamino)pentan-2-ol

C7H18N2O3S — CID 107155389

IUPAC4-methyl-1-(methylsulfamoylamino)pentan-2-ol
SMILESCNS(=O)(=O)NCC(O)CC(C)C
InChIInChI=1S/C7H18N2O3S/c1-6(2)4-7(10)5-9-13(11,12)8-3/h6-10H,4-5H2,1-3H3
InChIKeyINSQWMAIXJPQKK-UHFFFAOYSA-N
MW210.30 g/mol
LogP-0.55
Rot. Bonds6

About 4-methyl-1-(methylsulfamoylamino)pentan-2-ol

4-methyl-1-(methylsulfamoylamino)pentan-2-ol (PubChem CID 107155389) has the molecular formula C7H18N2O3S and a molecular weight of 210.30 g/mol. Its IUPAC name is 4-methyl-1-(methylsulfamoylamino)pentan-2-ol.

Molecular Properties

Compound Name4-methyl-1-(methylsulfamoylamino)pentan-2-ol
PubChem CID107155389
Molecular FormulaC7H18N2O3S
Molecular Weight210.30 g/mol
Exact Mass210.10
IUPAC Name4-methyl-1-(methylsulfamoylamino)pentan-2-ol
SMILESCNS(=O)(=O)NCC(O)CC(C)C
InChIInChI=1S/C7H18N2O3S/c1-6(2)4-7(10)5-9-13(11,12)8-3/h6-10H,4-5H2,1-3H3
InChIKeyINSQWMAIXJPQKK-UHFFFAOYSA-N
XLogP-0.55
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.30
LogP ≤ 5-0.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(methylsulfamoylamino)pentan-2-ol?
The IUPAC name of 4-methyl-1-(methylsulfamoylamino)pentan-2-ol (CID 107155389) is 4-methyl-1-(methylsulfamoylamino)pentan-2-ol.
What is the SMILES notation for 4-methyl-1-(methylsulfamoylamino)pentan-2-ol?
The canonical SMILES for 4-methyl-1-(methylsulfamoylamino)pentan-2-ol is CNS(=O)(=O)NCC(O)CC(C)C.
What is the InChIKey of 4-methyl-1-(methylsulfamoylamino)pentan-2-ol?
The InChIKey is INSQWMAIXJPQKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18N2O3S/c1-6(2)4-7(10)5-9-13(11,12)8-3/h6-10H,4-5H2,1-3H3.
What are the key properties of 4-methyl-1-(methylsulfamoylamino)pentan-2-ol?
4-methyl-1-(methylsulfamoylamino)pentan-2-ol has a molecular weight of 210.30 g/mol, XLogP of -0.55, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(methylsulfamoylamino)pentan-2-ol is sourced from PubChem (CID 107155389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).