propan-2-yl N-(2,2-dimethyl-3-methylsulfonylpropyl)carbamate

C10H21NO4S — CID 89000381

IUPACpropan-2-yl N-(2,2-dimethyl-3-methylsulfonylpropyl)carbamate
SMILESCC(C)OC(=O)NCC(C)(C)CS(C)(=O)=O
InChIInChI=1S/C10H21NO4S/c1-8(2)15-9(12)11-6-10(3,4)7-16(5,13)14/h8H,6-7H2,1-5H3,(H,11,12)
InChIKeyAAOGPFZMLQMNQU-UHFFFAOYSA-N
MW251.35 g/mol
LogP1.19
Rot. Bonds5

About propan-2-yl N-(2,2-dimethyl-3-methylsulfonylpropyl)carbamate

propan-2-yl N-(2,2-dimethyl-3-methylsulfonylpropyl)carbamate (PubChem CID 89000381) has the molecular formula C10H21NO4S and a molecular weight of 251.35 g/mol. Its IUPAC name is propan-2-yl N-(2,2-dimethyl-3-methylsulfonylpropyl)carbamate.

Molecular Properties

Compound Namepropan-2-yl N-(2,2-dimethyl-3-methylsulfonylpropyl)carbamate
PubChem CID89000381
Molecular FormulaC10H21NO4S
Molecular Weight251.35 g/mol
Exact Mass251.12
IUPAC Namepropan-2-yl N-(2,2-dimethyl-3-methylsulfonylpropyl)carbamate
SMILESCC(C)OC(=O)NCC(C)(C)CS(C)(=O)=O
InChIInChI=1S/C10H21NO4S/c1-8(2)15-9(12)11-6-10(3,4)7-16(5,13)14/h8H,6-7H2,1-5H3,(H,11,12)
InChIKeyAAOGPFZMLQMNQU-UHFFFAOYSA-N
XLogP1.19
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-(2,2-dimethyl-3-methylsulfonylpropyl)carbamate?
The IUPAC name of propan-2-yl N-(2,2-dimethyl-3-methylsulfonylpropyl)carbamate (CID 89000381) is propan-2-yl N-(2,2-dimethyl-3-methylsulfonylpropyl)carbamate.
What is the SMILES notation for propan-2-yl N-(2,2-dimethyl-3-methylsulfonylpropyl)carbamate?
The canonical SMILES for propan-2-yl N-(2,2-dimethyl-3-methylsulfonylpropyl)carbamate is CC(C)OC(=O)NCC(C)(C)CS(C)(=O)=O.
What is the InChIKey of propan-2-yl N-(2,2-dimethyl-3-methylsulfonylpropyl)carbamate?
The InChIKey is AAOGPFZMLQMNQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO4S/c1-8(2)15-9(12)11-6-10(3,4)7-16(5,13)14/h8H,6-7H2,1-5H3,(H,11,12).
What are the key properties of propan-2-yl N-(2,2-dimethyl-3-methylsulfonylpropyl)carbamate?
propan-2-yl N-(2,2-dimethyl-3-methylsulfonylpropyl)carbamate has a molecular weight of 251.35 g/mol, XLogP of 1.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-(2,2-dimethyl-3-methylsulfonylpropyl)carbamate is sourced from PubChem (CID 89000381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).