ethyl N-[(1-methylsulfanylcyclobutyl)methyl]carbamate

C9H17NO2S — CID 107299283

IUPACethyl N-[(1-methylsulfanylcyclobutyl)methyl]carbamate
SMILESCCOC(=O)NCC1(SC)CCC1
InChIInChI=1S/C9H17NO2S/c1-3-12-8(11)10-7-9(13-2)5-4-6-9/h3-7H2,1-2H3,(H,10,11)
InChIKeyFUWHAUOIVRZMCM-UHFFFAOYSA-N
MW203.31 g/mol
LogP2.02
Rot. Bonds4

About ethyl N-[(1-methylsulfanylcyclobutyl)methyl]carbamate

ethyl N-[(1-methylsulfanylcyclobutyl)methyl]carbamate (PubChem CID 107299283) has the molecular formula C9H17NO2S and a molecular weight of 203.31 g/mol. Its IUPAC name is ethyl N-[(1-methylsulfanylcyclobutyl)methyl]carbamate.

Molecular Properties

Compound Nameethyl N-[(1-methylsulfanylcyclobutyl)methyl]carbamate
PubChem CID107299283
Molecular FormulaC9H17NO2S
Molecular Weight203.31 g/mol
Exact Mass203.10
IUPAC Nameethyl N-[(1-methylsulfanylcyclobutyl)methyl]carbamate
SMILESCCOC(=O)NCC1(SC)CCC1
InChIInChI=1S/C9H17NO2S/c1-3-12-8(11)10-7-9(13-2)5-4-6-9/h3-7H2,1-2H3,(H,10,11)
InChIKeyFUWHAUOIVRZMCM-UHFFFAOYSA-N
XLogP2.02
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.31
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-tert-butyl-3-[(1-methylsulfanylcyclobutyl)methyl]urea
CID 107265865
1-[(1-methylsulfanylcyclopentyl)methylcarbamoyl]cyclobutane-1-carboxylic acid
CID 114117430
1,1-diethyl-3-[(1-methylsulfanylcyclohexyl)methyl]urea
CID 114115882
ethyl N-[(1-propylcyclopropyl)methyl]carbamate
CID 103762312
1-[(ethoxycarbonylamino)methyl]cyclohexane-1-carboxylic acid
CID 115435935
tert-butyl N-[3-[(1-methylsulfanylcyclobutyl)methylamino]propyl]carbamate
CID 107272034
2-[2-[(1-methylsulfanylcyclobutyl)methylcarbamoylamino]ethoxy]acetic acid
CID 114117097
1-cyano-N-[(1-methylsulfanylcyclobutyl)methyl]cyclohexane-1-carboxamide
CID 107299347
N-[(1-methylsulfanylcyclopropyl)methyl]-2-propoxyacetamide
CID 107299396
2-(tert-butylamino)-N-[(1-methylsulfanylcyclopentyl)methyl]acetamide
CID 114116154
5-chloro-N-[(1-methylsulfanylcyclobutyl)methyl]pyrazine-2-carboxamide
CID 107329698
3-amino-3-hydroxyimino-2-methyl-N-[(1-methylsulfanylcyclopentyl)methyl]propanamide
CID 114117368

Frequently Asked Questions

What is the IUPAC name of ethyl N-[(1-methylsulfanylcyclobutyl)methyl]carbamate?
The IUPAC name of ethyl N-[(1-methylsulfanylcyclobutyl)methyl]carbamate (CID 107299283) is ethyl N-[(1-methylsulfanylcyclobutyl)methyl]carbamate.
What is the SMILES notation for ethyl N-[(1-methylsulfanylcyclobutyl)methyl]carbamate?
The canonical SMILES for ethyl N-[(1-methylsulfanylcyclobutyl)methyl]carbamate is CCOC(=O)NCC1(SC)CCC1.
What is the InChIKey of ethyl N-[(1-methylsulfanylcyclobutyl)methyl]carbamate?
The InChIKey is FUWHAUOIVRZMCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2S/c1-3-12-8(11)10-7-9(13-2)5-4-6-9/h3-7H2,1-2H3,(H,10,11).
What are the key properties of ethyl N-[(1-methylsulfanylcyclobutyl)methyl]carbamate?
ethyl N-[(1-methylsulfanylcyclobutyl)methyl]carbamate has a molecular weight of 203.31 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[(1-methylsulfanylcyclobutyl)methyl]carbamate is sourced from PubChem (CID 107299283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).