1-(tert-butylsulfamoylamino)-2-methyl-3-methylsulfanylpropan-2-ol

C9H22N2O3S2 — CID 106245603

IUPAC1-(tert-butylsulfamoylamino)-2-methyl-3-methylsulfanylpropan-2-ol
SMILESCSCC(C)(O)CNS(=O)(=O)NC(C)(C)C
InChIInChI=1S/C9H22N2O3S2/c1-8(2,3)11-16(13,14)10-6-9(4,12)7-15-5/h10-12H,6-7H2,1-5H3
InChIKeyCGSQJBRCGKPDCG-UHFFFAOYSA-N
MW270.42 g/mol
LogP0.32
Rot. Bonds6

About 1-(tert-butylsulfamoylamino)-2-methyl-3-methylsulfanylpropan-2-ol

1-(tert-butylsulfamoylamino)-2-methyl-3-methylsulfanylpropan-2-ol (PubChem CID 106245603) has the molecular formula C9H22N2O3S2 and a molecular weight of 270.42 g/mol. Its IUPAC name is 1-(tert-butylsulfamoylamino)-2-methyl-3-methylsulfanylpropan-2-ol.

Molecular Properties

Compound Name1-(tert-butylsulfamoylamino)-2-methyl-3-methylsulfanylpropan-2-ol
PubChem CID106245603
Molecular FormulaC9H22N2O3S2
Molecular Weight270.42 g/mol
Exact Mass270.11
IUPAC Name1-(tert-butylsulfamoylamino)-2-methyl-3-methylsulfanylpropan-2-ol
SMILESCSCC(C)(O)CNS(=O)(=O)NC(C)(C)C
InChIInChI=1S/C9H22N2O3S2/c1-8(2,3)11-16(13,14)10-6-9(4,12)7-15-5/h10-12H,6-7H2,1-5H3
InChIKeyCGSQJBRCGKPDCG-UHFFFAOYSA-N
XLogP0.32
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 50.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(tert-butylsulfamoylamino)-2-methyl-3-methylsulfanylpropan-2-ol?
The IUPAC name of 1-(tert-butylsulfamoylamino)-2-methyl-3-methylsulfanylpropan-2-ol (CID 106245603) is 1-(tert-butylsulfamoylamino)-2-methyl-3-methylsulfanylpropan-2-ol.
What is the SMILES notation for 1-(tert-butylsulfamoylamino)-2-methyl-3-methylsulfanylpropan-2-ol?
The canonical SMILES for 1-(tert-butylsulfamoylamino)-2-methyl-3-methylsulfanylpropan-2-ol is CSCC(C)(O)CNS(=O)(=O)NC(C)(C)C.
What is the InChIKey of 1-(tert-butylsulfamoylamino)-2-methyl-3-methylsulfanylpropan-2-ol?
The InChIKey is CGSQJBRCGKPDCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N2O3S2/c1-8(2,3)11-16(13,14)10-6-9(4,12)7-15-5/h10-12H,6-7H2,1-5H3.
What are the key properties of 1-(tert-butylsulfamoylamino)-2-methyl-3-methylsulfanylpropan-2-ol?
1-(tert-butylsulfamoylamino)-2-methyl-3-methylsulfanylpropan-2-ol has a molecular weight of 270.42 g/mol, XLogP of 0.32, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(tert-butylsulfamoylamino)-2-methyl-3-methylsulfanylpropan-2-ol is sourced from PubChem (CID 106245603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).