2-(trimethyl-λ4-sulfanyl)ethyl N-methyl-N-(3-thiophen-2-ylpropyl)carbamate

C14H25NO2S2 — CID 153332307

IUPAC2-(trimethyl-λ4-sulfanyl)ethyl N-methyl-N-(3-thiophen-2-ylpropyl)carbamate
SMILESCN(CCCc1cccs1)C(=O)OCCS(C)(C)C
InChIInChI=1S/C14H25NO2S2/c1-15(9-5-7-13-8-6-11-18-13)14(16)17-10-12-19(2,3)4/h6,8,11H,5,7,9-10,12H2,1-4H3
InChIKeyKZTMRRFFGMLWGO-UHFFFAOYSA-N
MW303.49 g/mol
LogP3.44
Rot. Bonds7

About 2-(trimethyl-λ4-sulfanyl)ethyl N-methyl-N-(3-thiophen-2-ylpropyl)carbamate

2-(trimethyl-λ4-sulfanyl)ethyl N-methyl-N-(3-thiophen-2-ylpropyl)carbamate (PubChem CID 153332307) has the molecular formula C14H25NO2S2 and a molecular weight of 303.49 g/mol. Its IUPAC name is 2-(trimethyl-λ4-sulfanyl)ethyl N-methyl-N-(3-thiophen-2-ylpropyl)carbamate.

Molecular Properties

Compound Name2-(trimethyl-λ4-sulfanyl)ethyl N-methyl-N-(3-thiophen-2-ylpropyl)carbamate
PubChem CID153332307
Molecular FormulaC14H25NO2S2
Molecular Weight303.49 g/mol
Exact Mass303.13
IUPAC Name2-(trimethyl-λ4-sulfanyl)ethyl N-methyl-N-(3-thiophen-2-ylpropyl)carbamate
SMILESCN(CCCc1cccs1)C(=O)OCCS(C)(C)C
InChIInChI=1S/C14H25NO2S2/c1-15(9-5-7-13-8-6-11-18-13)14(16)17-10-12-19(2,3)4/h6,8,11H,5,7,9-10,12H2,1-4H3
InChIKeyKZTMRRFFGMLWGO-UHFFFAOYSA-N
XLogP3.44
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.49
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Ethyl 4-(2-thienylmethyl)-1-piperazinecarboxylate
CID 783744
1-[7-(Thiophen-2-yl)-1,4-thiazepan-4-yl]ethan-1-one
CID 90632626
Ethyl 7-(thiophen-2-yl)-1,4-thiazepane-4-carboxylate
CID 90632758
Methyl 7-thiophen-2-yl-1,4-thiazepane-4-carboxylate
CID 155511200
Ethyl 1-oxo-7-thiophen-2-yl-1,4-thiazepane-4-carboxylate
CID 155549741
ethyl (7S)-7-(thiophen-2-yl)-1,4-thiazepane-4-carboxylate
CID 100042081
methyl (7S)-7-(thiophen-2-yl)-1,4-thiazepane-4-carboxylate
CID 145714287
methyl N-methyl-N-(1-thiophen-2-ylethyl)carbamate
CID 115575425
tert-butyl N-methyl-N-(thiophen-2-ylmethyl)carbamate
CID 63790264
Ethyl (thiophen-2-ylmethyl)carbamate
CID 235154
Tert-butyl 3-(5-methylthiophen-2-yl)sulfanylazetidine-1-carboxylate
CID 135044732
ethyl 2-ethyl-6-thiophen-2-yl-2H-pyridine-1-carboxylate
CID 135067513

Frequently Asked Questions

What is the IUPAC name of 2-(trimethyl-λ4-sulfanyl)ethyl N-methyl-N-(3-thiophen-2-ylpropyl)carbamate?
The IUPAC name of 2-(trimethyl-λ4-sulfanyl)ethyl N-methyl-N-(3-thiophen-2-ylpropyl)carbamate (CID 153332307) is 2-(trimethyl-λ4-sulfanyl)ethyl N-methyl-N-(3-thiophen-2-ylpropyl)carbamate.
What is the SMILES notation for 2-(trimethyl-λ4-sulfanyl)ethyl N-methyl-N-(3-thiophen-2-ylpropyl)carbamate?
The canonical SMILES for 2-(trimethyl-λ4-sulfanyl)ethyl N-methyl-N-(3-thiophen-2-ylpropyl)carbamate is CN(CCCc1cccs1)C(=O)OCCS(C)(C)C.
What is the InChIKey of 2-(trimethyl-λ4-sulfanyl)ethyl N-methyl-N-(3-thiophen-2-ylpropyl)carbamate?
The InChIKey is KZTMRRFFGMLWGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2S2/c1-15(9-5-7-13-8-6-11-18-13)14(16)17-10-12-19(2,3)4/h6,8,11H,5,7,9-10,12H2,1-4H3.
What are the key properties of 2-(trimethyl-λ4-sulfanyl)ethyl N-methyl-N-(3-thiophen-2-ylpropyl)carbamate?
2-(trimethyl-λ4-sulfanyl)ethyl N-methyl-N-(3-thiophen-2-ylpropyl)carbamate has a molecular weight of 303.49 g/mol, XLogP of 3.44, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trimethyl-λ4-sulfanyl)ethyl N-methyl-N-(3-thiophen-2-ylpropyl)carbamate is sourced from PubChem (CID 153332307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).