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

C8H18N2O3S2 — CID 104919165

IUPAC1-(cyclopropylsulfamoylamino)-2-methyl-3-methylsulfanylpropan-2-ol
SMILESCSCC(C)(O)CNS(=O)(=O)NC1CC1
InChIInChI=1S/C8H18N2O3S2/c1-8(11,6-14-2)5-9-15(12,13)10-7-3-4-7/h7,9-11H,3-6H2,1-2H3
InChIKeySZMDHWYJOJMDLV-UHFFFAOYSA-N
MW254.38 g/mol
LogP-0.31
Rot. Bonds7

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

1-(cyclopropylsulfamoylamino)-2-methyl-3-methylsulfanylpropan-2-ol (PubChem CID 104919165) has the molecular formula C8H18N2O3S2 and a molecular weight of 254.38 g/mol. Its IUPAC name is 1-(cyclopropylsulfamoylamino)-2-methyl-3-methylsulfanylpropan-2-ol.

Molecular Properties

Compound Name1-(cyclopropylsulfamoylamino)-2-methyl-3-methylsulfanylpropan-2-ol
PubChem CID104919165
Molecular FormulaC8H18N2O3S2
Molecular Weight254.38 g/mol
Exact Mass254.08
IUPAC Name1-(cyclopropylsulfamoylamino)-2-methyl-3-methylsulfanylpropan-2-ol
SMILESCSCC(C)(O)CNS(=O)(=O)NC1CC1
InChIInChI=1S/C8H18N2O3S2/c1-8(11,6-14-2)5-9-15(12,13)10-7-3-4-7/h7,9-11H,3-6H2,1-2H3
InChIKeySZMDHWYJOJMDLV-UHFFFAOYSA-N
XLogP-0.31
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 5-0.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylsulfamoylamino)-2-methyl-3-methylsulfanylpropan-2-ol?
The IUPAC name of 1-(cyclopropylsulfamoylamino)-2-methyl-3-methylsulfanylpropan-2-ol (CID 104919165) is 1-(cyclopropylsulfamoylamino)-2-methyl-3-methylsulfanylpropan-2-ol.
What is the SMILES notation for 1-(cyclopropylsulfamoylamino)-2-methyl-3-methylsulfanylpropan-2-ol?
The canonical SMILES for 1-(cyclopropylsulfamoylamino)-2-methyl-3-methylsulfanylpropan-2-ol is CSCC(C)(O)CNS(=O)(=O)NC1CC1.
What is the InChIKey of 1-(cyclopropylsulfamoylamino)-2-methyl-3-methylsulfanylpropan-2-ol?
The InChIKey is SZMDHWYJOJMDLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O3S2/c1-8(11,6-14-2)5-9-15(12,13)10-7-3-4-7/h7,9-11H,3-6H2,1-2H3.
What are the key properties of 1-(cyclopropylsulfamoylamino)-2-methyl-3-methylsulfanylpropan-2-ol?
1-(cyclopropylsulfamoylamino)-2-methyl-3-methylsulfanylpropan-2-ol has a molecular weight of 254.38 g/mol, XLogP of -0.31, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylsulfamoylamino)-2-methyl-3-methylsulfanylpropan-2-ol is sourced from PubChem (CID 104919165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).