(2-propan-2-yloxyphenyl) N-methyl-N-[(2-methylpropan-2-yl)oxysulfinyl]carbamate

C15H23NO5S — CID 12876562

IUPAC(2-propan-2-yloxyphenyl) N-methyl-N-[(2-methylpropan-2-yl)oxysulfinyl]carbamate
SMILESCC(C)Oc1ccccc1OC(=O)N(C)S(=O)OC(C)(C)C
InChIInChI=1S/C15H23NO5S/c1-11(2)19-12-9-7-8-10-13(12)20-14(17)16(6)22(18)21-15(3,4)5/h7-11H,1-6H3
InChIKeyFZGDCNNDRGDTLR-UHFFFAOYSA-N
MW329.42 g/mol
LogP3.30
Rot. Bonds5

About (2-propan-2-yloxyphenyl) N-methyl-N-[(2-methylpropan-2-yl)oxysulfinyl]carbamate

(2-propan-2-yloxyphenyl) N-methyl-N-[(2-methylpropan-2-yl)oxysulfinyl]carbamate (PubChem CID 12876562) has the molecular formula C15H23NO5S and a molecular weight of 329.42 g/mol. Its IUPAC name is (2-propan-2-yloxyphenyl) N-methyl-N-[(2-methylpropan-2-yl)oxysulfinyl]carbamate.

Molecular Properties

Compound Name(2-propan-2-yloxyphenyl) N-methyl-N-[(2-methylpropan-2-yl)oxysulfinyl]carbamate
PubChem CID12876562
Molecular FormulaC15H23NO5S
Molecular Weight329.42 g/mol
Exact Mass329.13
IUPAC Name(2-propan-2-yloxyphenyl) N-methyl-N-[(2-methylpropan-2-yl)oxysulfinyl]carbamate
SMILESCC(C)Oc1ccccc1OC(=O)N(C)S(=O)OC(C)(C)C
InChIInChI=1S/C15H23NO5S/c1-11(2)19-12-9-7-8-10-13(12)20-14(17)16(6)22(18)21-15(3,4)5/h7-11H,1-6H3
InChIKeyFZGDCNNDRGDTLR-UHFFFAOYSA-N
XLogP3.30
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.42
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (2-propan-2-yloxyphenyl) N-methyl-N-[(2-methylpropan-2-yl)oxysulfinyl]carbamate?
The IUPAC name of (2-propan-2-yloxyphenyl) N-methyl-N-[(2-methylpropan-2-yl)oxysulfinyl]carbamate (CID 12876562) is (2-propan-2-yloxyphenyl) N-methyl-N-[(2-methylpropan-2-yl)oxysulfinyl]carbamate.
What is the SMILES notation for (2-propan-2-yloxyphenyl) N-methyl-N-[(2-methylpropan-2-yl)oxysulfinyl]carbamate?
The canonical SMILES for (2-propan-2-yloxyphenyl) N-methyl-N-[(2-methylpropan-2-yl)oxysulfinyl]carbamate is CC(C)Oc1ccccc1OC(=O)N(C)S(=O)OC(C)(C)C.
What is the InChIKey of (2-propan-2-yloxyphenyl) N-methyl-N-[(2-methylpropan-2-yl)oxysulfinyl]carbamate?
The InChIKey is FZGDCNNDRGDTLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO5S/c1-11(2)19-12-9-7-8-10-13(12)20-14(17)16(6)22(18)21-15(3,4)5/h7-11H,1-6H3.
What are the key properties of (2-propan-2-yloxyphenyl) N-methyl-N-[(2-methylpropan-2-yl)oxysulfinyl]carbamate?
(2-propan-2-yloxyphenyl) N-methyl-N-[(2-methylpropan-2-yl)oxysulfinyl]carbamate has a molecular weight of 329.42 g/mol, XLogP of 3.30, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-propan-2-yloxyphenyl) N-methyl-N-[(2-methylpropan-2-yl)oxysulfinyl]carbamate is sourced from PubChem (CID 12876562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).