[3-(dimethylamino)-3-thiophen-3-ylpropyl] N,N-dimethylcarbamate

C12H20N2O2S — CID 44570102

IUPAC[3-(dimethylamino)-3-thiophen-3-ylpropyl] N,N-dimethylcarbamate
SMILESCN(C)C(=O)OCCC(c1ccsc1)N(C)C
InChIInChI=1S/C12H20N2O2S/c1-13(2)11(10-6-8-17-9-10)5-7-16-12(15)14(3)4/h6,8-9,11H,5,7H2,1-4H3
InChIKeyJUQZKXQYNGZKLQ-UHFFFAOYSA-N
MW256.37 g/mol
LogP2.44
Rot. Bonds5

About [3-(dimethylamino)-3-thiophen-3-ylpropyl] N,N-dimethylcarbamate

[3-(dimethylamino)-3-thiophen-3-ylpropyl] N,N-dimethylcarbamate (PubChem CID 44570102) has the molecular formula C12H20N2O2S and a molecular weight of 256.37 g/mol. Its IUPAC name is [3-(dimethylamino)-3-thiophen-3-ylpropyl] N,N-dimethylcarbamate.

Molecular Properties

Compound Name[3-(dimethylamino)-3-thiophen-3-ylpropyl] N,N-dimethylcarbamate
PubChem CID44570102
Molecular FormulaC12H20N2O2S
Molecular Weight256.37 g/mol
Exact Mass256.12
IUPAC Name[3-(dimethylamino)-3-thiophen-3-ylpropyl] N,N-dimethylcarbamate
SMILESCN(C)C(=O)OCCC(c1ccsc1)N(C)C
InChIInChI=1S/C12H20N2O2S/c1-13(2)11(10-6-8-17-9-10)5-7-16-12(15)14(3)4/h6,8-9,11H,5,7H2,1-4H3
InChIKeyJUQZKXQYNGZKLQ-UHFFFAOYSA-N
XLogP2.44
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl (2S)-2-thiophen-3-ylpyrrolidine-1-carboxylate
CID 11064948
tert-butyl (2R)-2-thiophen-3-ylpyrrolidine-1-carboxylate
CID 53469666
tert-butyl (2R)-4-methylidene-2-thiophen-3-ylpyrrolidine-1-carboxylate
CID 131228499
methyl 2-thiophen-3-yl-3,4-dihydro-2H-pyridine-1-carboxylate
CID 102437819
Tert-butyl 3-hydroxy-1-(thiophen-3-yl)propylcarbamate
CID 59161739
tert-butyl N-cyano-N-(1-thiophen-3-ylethyl)carbamate
CID 87198768
tert-butyl N-(3-cyano-1-thiophen-3-ylpropyl)-N-methylcarbamate
CID 135134830
tert-butyl N-[cyano(thiophen-3-yl)methyl]-N-methylcarbamate
CID 138736248
tert-Butyl 2-(thiophen-3-yl)pyrrolidine-1-carboxylate
CID 15189989
Ethyl 2-thiophen-3-ylpyrrolidine-1-carboxylate
CID 61073801
3-methoxy-N-methyl-1-thiophen-3-ylpropan-1-amine
CID 62601114
3-methoxy-N-propyl-1-thiophen-3-ylpropan-1-amine
CID 62601301

Frequently Asked Questions

What is the IUPAC name of [3-(dimethylamino)-3-thiophen-3-ylpropyl] N,N-dimethylcarbamate?
The IUPAC name of [3-(dimethylamino)-3-thiophen-3-ylpropyl] N,N-dimethylcarbamate (CID 44570102) is [3-(dimethylamino)-3-thiophen-3-ylpropyl] N,N-dimethylcarbamate.
What is the SMILES notation for [3-(dimethylamino)-3-thiophen-3-ylpropyl] N,N-dimethylcarbamate?
The canonical SMILES for [3-(dimethylamino)-3-thiophen-3-ylpropyl] N,N-dimethylcarbamate is CN(C)C(=O)OCCC(c1ccsc1)N(C)C.
What is the InChIKey of [3-(dimethylamino)-3-thiophen-3-ylpropyl] N,N-dimethylcarbamate?
The InChIKey is JUQZKXQYNGZKLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2S/c1-13(2)11(10-6-8-17-9-10)5-7-16-12(15)14(3)4/h6,8-9,11H,5,7H2,1-4H3.
What are the key properties of [3-(dimethylamino)-3-thiophen-3-ylpropyl] N,N-dimethylcarbamate?
[3-(dimethylamino)-3-thiophen-3-ylpropyl] N,N-dimethylcarbamate has a molecular weight of 256.37 g/mol, XLogP of 2.44, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(dimethylamino)-3-thiophen-3-ylpropyl] N,N-dimethylcarbamate is sourced from PubChem (CID 44570102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).