propan-2-yl N-[[hydroxy(propan-2-yloxy)methyl]-methylsulfanylcarbothioylamino]carbamate

C10H20N2O4S2 — CID 174359347

IUPACpropan-2-yl N-[[hydroxy(propan-2-yloxy)methyl]-methylsulfanylcarbothioylamino]carbamate
SMILESCSC(=S)N(NC(=O)OC(C)C)C(O)OC(C)C
InChIInChI=1S/C10H20N2O4S2/c1-6(2)15-8(13)11-12(10(17)18-5)9(14)16-7(3)4/h6-7,9,14H,1-5H3,(H,11,13)
InChIKeyWBRAYHLKDRSDMW-UHFFFAOYSA-N
MW296.41 g/mol
LogP1.69
Rot. Bonds4

About propan-2-yl N-[[hydroxy(propan-2-yloxy)methyl]-methylsulfanylcarbothioylamino]carbamate

propan-2-yl N-[[hydroxy(propan-2-yloxy)methyl]-methylsulfanylcarbothioylamino]carbamate (PubChem CID 174359347) has the molecular formula C10H20N2O4S2 and a molecular weight of 296.41 g/mol. Its IUPAC name is propan-2-yl N-[[hydroxy(propan-2-yloxy)methyl]-methylsulfanylcarbothioylamino]carbamate.

Molecular Properties

Compound Namepropan-2-yl N-[[hydroxy(propan-2-yloxy)methyl]-methylsulfanylcarbothioylamino]carbamate
PubChem CID174359347
Molecular FormulaC10H20N2O4S2
Molecular Weight296.41 g/mol
Exact Mass296.09
IUPAC Namepropan-2-yl N-[[hydroxy(propan-2-yloxy)methyl]-methylsulfanylcarbothioylamino]carbamate
SMILESCSC(=S)N(NC(=O)OC(C)C)C(O)OC(C)C
InChIInChI=1S/C10H20N2O4S2/c1-6(2)15-8(13)11-12(10(17)18-5)9(14)16-7(3)4/h6-7,9,14H,1-5H3,(H,11,13)
InChIKeyWBRAYHLKDRSDMW-UHFFFAOYSA-N
XLogP1.69
TPSA71.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

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propan-2-yl N-(2-methyl-3-methylsulfanylpropyl)carbamate
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propan-2-yl N-(ethoxysulfamoyl)carbamate
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propan-2-yl N-(4-hydroxy-2,3,5-trimethylphenyl)-N-(propan-2-yloxycarbonylamino)carbamate
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methyl N-propan-2-yl-4-(propan-2-yloxycarbonylamino)cyclohexane-1-carboximidothioate
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propan-2-yl N-(3-methylbut-2-enyl)carbamate
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propan-2-yl N-[1-hydroxypropan-2-yl(methyl)sulfamoyl]carbamate
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2-[carboxymethyl(propan-2-yloxycarbonylsulfamoyl)amino]acetic acid
CID 114462664

Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-[[hydroxy(propan-2-yloxy)methyl]-methylsulfanylcarbothioylamino]carbamate?
The IUPAC name of propan-2-yl N-[[hydroxy(propan-2-yloxy)methyl]-methylsulfanylcarbothioylamino]carbamate (CID 174359347) is propan-2-yl N-[[hydroxy(propan-2-yloxy)methyl]-methylsulfanylcarbothioylamino]carbamate.
What is the SMILES notation for propan-2-yl N-[[hydroxy(propan-2-yloxy)methyl]-methylsulfanylcarbothioylamino]carbamate?
The canonical SMILES for propan-2-yl N-[[hydroxy(propan-2-yloxy)methyl]-methylsulfanylcarbothioylamino]carbamate is CSC(=S)N(NC(=O)OC(C)C)C(O)OC(C)C.
What is the InChIKey of propan-2-yl N-[[hydroxy(propan-2-yloxy)methyl]-methylsulfanylcarbothioylamino]carbamate?
The InChIKey is WBRAYHLKDRSDMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O4S2/c1-6(2)15-8(13)11-12(10(17)18-5)9(14)16-7(3)4/h6-7,9,14H,1-5H3,(H,11,13).
What are the key properties of propan-2-yl N-[[hydroxy(propan-2-yloxy)methyl]-methylsulfanylcarbothioylamino]carbamate?
propan-2-yl N-[[hydroxy(propan-2-yloxy)methyl]-methylsulfanylcarbothioylamino]carbamate has a molecular weight of 296.41 g/mol, XLogP of 1.69, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-[[hydroxy(propan-2-yloxy)methyl]-methylsulfanylcarbothioylamino]carbamate is sourced from PubChem (CID 174359347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).