2-methyl-1-(2-methylpropylsulfamoylamino)-3-methylsulfanylpropan-2-ol

C9H22N2O3S2 — CID 106245568

IUPAC2-methyl-1-(2-methylpropylsulfamoylamino)-3-methylsulfanylpropan-2-ol
SMILESCSCC(C)(O)CNS(=O)(=O)NCC(C)C
InChIInChI=1S/C9H22N2O3S2/c1-8(2)5-10-16(13,14)11-6-9(3,12)7-15-4/h8,10-12H,5-7H2,1-4H3
InChIKeyALYMPACOYZQMOO-UHFFFAOYSA-N
MW270.42 g/mol
LogP0.18
Rot. Bonds8

About 2-methyl-1-(2-methylpropylsulfamoylamino)-3-methylsulfanylpropan-2-ol

2-methyl-1-(2-methylpropylsulfamoylamino)-3-methylsulfanylpropan-2-ol (PubChem CID 106245568) has the molecular formula C9H22N2O3S2 and a molecular weight of 270.42 g/mol. Its IUPAC name is 2-methyl-1-(2-methylpropylsulfamoylamino)-3-methylsulfanylpropan-2-ol.

Molecular Properties

Compound Name2-methyl-1-(2-methylpropylsulfamoylamino)-3-methylsulfanylpropan-2-ol
PubChem CID106245568
Molecular FormulaC9H22N2O3S2
Molecular Weight270.42 g/mol
Exact Mass270.11
IUPAC Name2-methyl-1-(2-methylpropylsulfamoylamino)-3-methylsulfanylpropan-2-ol
SMILESCSCC(C)(O)CNS(=O)(=O)NCC(C)C
InChIInChI=1S/C9H22N2O3S2/c1-8(2)5-10-16(13,14)11-6-9(3,12)7-15-4/h8,10-12H,5-7H2,1-4H3
InChIKeyALYMPACOYZQMOO-UHFFFAOYSA-N
XLogP0.18
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 50.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2-methylpropylsulfamoylamino)-3-methylsulfanylpropan-2-ol?
The IUPAC name of 2-methyl-1-(2-methylpropylsulfamoylamino)-3-methylsulfanylpropan-2-ol (CID 106245568) is 2-methyl-1-(2-methylpropylsulfamoylamino)-3-methylsulfanylpropan-2-ol.
What is the SMILES notation for 2-methyl-1-(2-methylpropylsulfamoylamino)-3-methylsulfanylpropan-2-ol?
The canonical SMILES for 2-methyl-1-(2-methylpropylsulfamoylamino)-3-methylsulfanylpropan-2-ol is CSCC(C)(O)CNS(=O)(=O)NCC(C)C.
What is the InChIKey of 2-methyl-1-(2-methylpropylsulfamoylamino)-3-methylsulfanylpropan-2-ol?
The InChIKey is ALYMPACOYZQMOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N2O3S2/c1-8(2)5-10-16(13,14)11-6-9(3,12)7-15-4/h8,10-12H,5-7H2,1-4H3.
What are the key properties of 2-methyl-1-(2-methylpropylsulfamoylamino)-3-methylsulfanylpropan-2-ol?
2-methyl-1-(2-methylpropylsulfamoylamino)-3-methylsulfanylpropan-2-ol has a molecular weight of 270.42 g/mol, XLogP of 0.18, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2-methylpropylsulfamoylamino)-3-methylsulfanylpropan-2-ol is sourced from PubChem (CID 106245568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).