3-ethyl-N-methyl-N-(1-methylsulfanylpropan-2-yl)pyrrolidine-3-carboxamide

C12H24N2OS — CID 112659335

IUPAC3-ethyl-N-methyl-N-(1-methylsulfanylpropan-2-yl)pyrrolidine-3-carboxamide
SMILESCCC1(C(=O)N(C)C(C)CSC)CCNC1
InChIInChI=1S/C12H24N2OS/c1-5-12(6-7-13-9-12)11(15)14(3)10(2)8-16-4/h10,13H,5-9H2,1-4H3
InChIKeyOZXRGRGRSCBCFN-UHFFFAOYSA-N
MW244.40 g/mol
LogP1.59
Rot. Bonds5

About 3-ethyl-N-methyl-N-(1-methylsulfanylpropan-2-yl)pyrrolidine-3-carboxamide

3-ethyl-N-methyl-N-(1-methylsulfanylpropan-2-yl)pyrrolidine-3-carboxamide (PubChem CID 112659335) has the molecular formula C12H24N2OS and a molecular weight of 244.40 g/mol. Its IUPAC name is 3-ethyl-N-methyl-N-(1-methylsulfanylpropan-2-yl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name3-ethyl-N-methyl-N-(1-methylsulfanylpropan-2-yl)pyrrolidine-3-carboxamide
PubChem CID112659335
Molecular FormulaC12H24N2OS
Molecular Weight244.40 g/mol
Exact Mass244.16
IUPAC Name3-ethyl-N-methyl-N-(1-methylsulfanylpropan-2-yl)pyrrolidine-3-carboxamide
SMILESCCC1(C(=O)N(C)C(C)CSC)CCNC1
InChIInChI=1S/C12H24N2OS/c1-5-12(6-7-13-9-12)11(15)14(3)10(2)8-16-4/h10,13H,5-9H2,1-4H3
InChIKeyOZXRGRGRSCBCFN-UHFFFAOYSA-N
XLogP1.59
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.40
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethyl-N-(1-hydroxypropan-2-yl)-N-methylpiperidine-4-carboxamide
CID 104551835
N-(1-hydroxypropan-2-yl)-N-methyl-3-propylpyrrolidine-3-carboxamide
CID 104551752
3-ethyl-N-(2-methylpropyl)-N-propan-2-ylpyrrolidine-3-carboxamide
CID 63144055
3-ethyl-N-[(1-hydroxycyclopentyl)methyl]-N-methylpyrrolidine-3-carboxamide
CID 114948885
2-[butan-2-yl-(3-ethylpyrrolidine-3-carbonyl)amino]acetic acid
CID 55164380
N-(3,3-dimethylbutan-2-yl)-N-methyl-3-propylpyrrolidine-3-carboxamide
CID 63143489
1-(3-ethylpyrrolidin-3-yl)-2-methylbutan-1-one
CID 116570206
N,N-bis(cyanomethyl)-3-ethylpyrrolidine-3-carboxamide
CID 63140597
3-ethyl-N-methyl-N-phenylpyrrolidine-3-carboxamide
CID 63140580
methyl 2-[(3-ethylpyrrolidine-3-carbonyl)-propan-2-ylamino]acetate
CID 55164952
N-[1-(2-chlorophenyl)ethyl]-3-ethyl-N-methylpiperidine-3-carboxamide
CID 63130733
N-methyl-N-(1-methylsulfanylpropan-2-yl)-2-propylpyrrolidine-2-carboxamide
CID 106975714

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-methyl-N-(1-methylsulfanylpropan-2-yl)pyrrolidine-3-carboxamide?
The IUPAC name of 3-ethyl-N-methyl-N-(1-methylsulfanylpropan-2-yl)pyrrolidine-3-carboxamide (CID 112659335) is 3-ethyl-N-methyl-N-(1-methylsulfanylpropan-2-yl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 3-ethyl-N-methyl-N-(1-methylsulfanylpropan-2-yl)pyrrolidine-3-carboxamide?
The canonical SMILES for 3-ethyl-N-methyl-N-(1-methylsulfanylpropan-2-yl)pyrrolidine-3-carboxamide is CCC1(C(=O)N(C)C(C)CSC)CCNC1.
What is the InChIKey of 3-ethyl-N-methyl-N-(1-methylsulfanylpropan-2-yl)pyrrolidine-3-carboxamide?
The InChIKey is OZXRGRGRSCBCFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2OS/c1-5-12(6-7-13-9-12)11(15)14(3)10(2)8-16-4/h10,13H,5-9H2,1-4H3.
What are the key properties of 3-ethyl-N-methyl-N-(1-methylsulfanylpropan-2-yl)pyrrolidine-3-carboxamide?
3-ethyl-N-methyl-N-(1-methylsulfanylpropan-2-yl)pyrrolidine-3-carboxamide has a molecular weight of 244.40 g/mol, XLogP of 1.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-methyl-N-(1-methylsulfanylpropan-2-yl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 112659335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).