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

C7H18N2O3S2 — CID 103835598

IUPAC1-(ethylsulfamoylamino)-2-methyl-3-methylsulfanylpropan-2-ol
SMILESCCNS(=O)(=O)NCC(C)(O)CSC
InChIInChI=1S/C7H18N2O3S2/c1-4-8-14(11,12)9-5-7(2,10)6-13-3/h8-10H,4-6H2,1-3H3
InChIKeyJPWDPXWUPXMPOO-UHFFFAOYSA-N
MW242.37 g/mol
LogP-0.46
Rot. Bonds7

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

1-(ethylsulfamoylamino)-2-methyl-3-methylsulfanylpropan-2-ol (PubChem CID 103835598) has the molecular formula C7H18N2O3S2 and a molecular weight of 242.37 g/mol. Its IUPAC name is 1-(ethylsulfamoylamino)-2-methyl-3-methylsulfanylpropan-2-ol.

Molecular Properties

Compound Name1-(ethylsulfamoylamino)-2-methyl-3-methylsulfanylpropan-2-ol
PubChem CID103835598
Molecular FormulaC7H18N2O3S2
Molecular Weight242.37 g/mol
Exact Mass242.08
IUPAC Name1-(ethylsulfamoylamino)-2-methyl-3-methylsulfanylpropan-2-ol
SMILESCCNS(=O)(=O)NCC(C)(O)CSC
InChIInChI=1S/C7H18N2O3S2/c1-4-8-14(11,12)9-5-7(2,10)6-13-3/h8-10H,4-6H2,1-3H3
InChIKeyJPWDPXWUPXMPOO-UHFFFAOYSA-N
XLogP-0.46
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.37
LogP ≤ 5-0.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(ethylsulfamoylamino)-2-methyl-3-methylsulfanylpropan-2-ol?
The IUPAC name of 1-(ethylsulfamoylamino)-2-methyl-3-methylsulfanylpropan-2-ol (CID 103835598) is 1-(ethylsulfamoylamino)-2-methyl-3-methylsulfanylpropan-2-ol.
What is the SMILES notation for 1-(ethylsulfamoylamino)-2-methyl-3-methylsulfanylpropan-2-ol?
The canonical SMILES for 1-(ethylsulfamoylamino)-2-methyl-3-methylsulfanylpropan-2-ol is CCNS(=O)(=O)NCC(C)(O)CSC.
What is the InChIKey of 1-(ethylsulfamoylamino)-2-methyl-3-methylsulfanylpropan-2-ol?
The InChIKey is JPWDPXWUPXMPOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18N2O3S2/c1-4-8-14(11,12)9-5-7(2,10)6-13-3/h8-10H,4-6H2,1-3H3.
What are the key properties of 1-(ethylsulfamoylamino)-2-methyl-3-methylsulfanylpropan-2-ol?
1-(ethylsulfamoylamino)-2-methyl-3-methylsulfanylpropan-2-ol has a molecular weight of 242.37 g/mol, XLogP of -0.46, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethylsulfamoylamino)-2-methyl-3-methylsulfanylpropan-2-ol is sourced from PubChem (CID 103835598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).