propan-2-yl N-[(2-methylthiolan-2-yl)methyl]carbamate

C10H19NO2S — CID 116656867

IUPACpropan-2-yl N-[(2-methylthiolan-2-yl)methyl]carbamate
SMILESCC(C)OC(=O)NCC1(C)CCCS1
InChIInChI=1S/C10H19NO2S/c1-8(2)13-9(12)11-7-10(3)5-4-6-14-10/h8H,4-7H2,1-3H3,(H,11,12)
InChIKeyJKLSGVJPWSGLHJ-UHFFFAOYSA-N
MW217.33 g/mol
LogP2.41
Rot. Bonds3

About propan-2-yl N-[(2-methylthiolan-2-yl)methyl]carbamate

propan-2-yl N-[(2-methylthiolan-2-yl)methyl]carbamate (PubChem CID 116656867) has the molecular formula C10H19NO2S and a molecular weight of 217.33 g/mol. Its IUPAC name is propan-2-yl N-[(2-methylthiolan-2-yl)methyl]carbamate.

Molecular Properties

Compound Namepropan-2-yl N-[(2-methylthiolan-2-yl)methyl]carbamate
PubChem CID116656867
Molecular FormulaC10H19NO2S
Molecular Weight217.33 g/mol
Exact Mass217.11
IUPAC Namepropan-2-yl N-[(2-methylthiolan-2-yl)methyl]carbamate
SMILESCC(C)OC(=O)NCC1(C)CCCS1
InChIInChI=1S/C10H19NO2S/c1-8(2)13-9(12)11-7-10(3)5-4-6-14-10/h8H,4-7H2,1-3H3,(H,11,12)
InChIKeyJKLSGVJPWSGLHJ-UHFFFAOYSA-N
XLogP2.41
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.33
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-[(2-methylthiolan-2-yl)methyl]carbamate?
The IUPAC name of propan-2-yl N-[(2-methylthiolan-2-yl)methyl]carbamate (CID 116656867) is propan-2-yl N-[(2-methylthiolan-2-yl)methyl]carbamate.
What is the SMILES notation for propan-2-yl N-[(2-methylthiolan-2-yl)methyl]carbamate?
The canonical SMILES for propan-2-yl N-[(2-methylthiolan-2-yl)methyl]carbamate is CC(C)OC(=O)NCC1(C)CCCS1.
What is the InChIKey of propan-2-yl N-[(2-methylthiolan-2-yl)methyl]carbamate?
The InChIKey is JKLSGVJPWSGLHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2S/c1-8(2)13-9(12)11-7-10(3)5-4-6-14-10/h8H,4-7H2,1-3H3,(H,11,12).
What are the key properties of propan-2-yl N-[(2-methylthiolan-2-yl)methyl]carbamate?
propan-2-yl N-[(2-methylthiolan-2-yl)methyl]carbamate has a molecular weight of 217.33 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-[(2-methylthiolan-2-yl)methyl]carbamate is sourced from PubChem (CID 116656867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).