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

C8H15NO2S — CID 115694296

IUPACmethyl N-[(2-methylthiolan-2-yl)methyl]carbamate
SMILESCOC(=O)NCC1(C)CCCS1
InChIInChI=1S/C8H15NO2S/c1-8(4-3-5-12-8)6-9-7(10)11-2/h3-6H2,1-2H3,(H,9,10)
InChIKeyZVRWBCRGCGPJPT-UHFFFAOYSA-N
MW189.28 g/mol
LogP1.63
Rot. Bonds2

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

methyl N-[(2-methylthiolan-2-yl)methyl]carbamate (PubChem CID 115694296) has the molecular formula C8H15NO2S and a molecular weight of 189.28 g/mol. Its IUPAC name is methyl N-[(2-methylthiolan-2-yl)methyl]carbamate.

Molecular Properties

Compound Namemethyl N-[(2-methylthiolan-2-yl)methyl]carbamate
PubChem CID115694296
Molecular FormulaC8H15NO2S
Molecular Weight189.28 g/mol
Exact Mass189.08
IUPAC Namemethyl N-[(2-methylthiolan-2-yl)methyl]carbamate
SMILESCOC(=O)NCC1(C)CCCS1
InChIInChI=1S/C8H15NO2S/c1-8(4-3-5-12-8)6-9-7(10)11-2/h3-6H2,1-2H3,(H,9,10)
InChIKeyZVRWBCRGCGPJPT-UHFFFAOYSA-N
XLogP1.63
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.28
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2,2-trifluoroethyl N-[(2-methylthiolan-2-yl)methyl]carbamate
CID 80528058
1-methyl-3-[(2-methylthiolan-2-yl)methyl]urea
CID 115693906
3-amino-N-[(2-methylthiolan-2-yl)methyl]propanamide
CID 80737620
N-[(2-methylthiolan-2-yl)methyl]cyclopropanecarboxamide
CID 80528490
1-[(2-methylthiolan-2-yl)methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 80743662
2-methyl-3-[(2-methylthiolan-2-yl)methylamino]-3-oxopropanoic acid
CID 114898811
2-amino-N-[(2-methylthiolan-2-yl)methyl]pentanamide
CID 80736795
(2S)-2-amino-3,3-dimethyl-N-[(2-methylthiolan-2-yl)methyl]butanamide;hydrochloride
CID 119809936
4-amino-N-[(2-methylthiolan-2-yl)methyl]pentanamide;hydrochloride
CID 120563633
4-(aminomethyl)-N-[(2-methylthiolan-2-yl)methyl]oxane-4-carboxamide
CID 113310160
1-cyclobutyl-3-[(2-methylthiolan-2-yl)methyl]urea
CID 115694325
2-amino-N-[(2-methylthiolan-2-yl)methyl]cycloheptane-1-carboxamide
CID 80736958

Frequently Asked Questions

What is the IUPAC name of methyl N-[(2-methylthiolan-2-yl)methyl]carbamate?
The IUPAC name of methyl N-[(2-methylthiolan-2-yl)methyl]carbamate (CID 115694296) is methyl N-[(2-methylthiolan-2-yl)methyl]carbamate.
What is the SMILES notation for methyl N-[(2-methylthiolan-2-yl)methyl]carbamate?
The canonical SMILES for methyl N-[(2-methylthiolan-2-yl)methyl]carbamate is COC(=O)NCC1(C)CCCS1.
What is the InChIKey of methyl N-[(2-methylthiolan-2-yl)methyl]carbamate?
The InChIKey is ZVRWBCRGCGPJPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2S/c1-8(4-3-5-12-8)6-9-7(10)11-2/h3-6H2,1-2H3,(H,9,10).
What are the key properties of methyl N-[(2-methylthiolan-2-yl)methyl]carbamate?
methyl N-[(2-methylthiolan-2-yl)methyl]carbamate has a molecular weight of 189.28 g/mol, XLogP of 1.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[(2-methylthiolan-2-yl)methyl]carbamate is sourced from PubChem (CID 115694296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).