N-methyl-N-(1-methylsulfanylpropan-2-yl)-2-propylpyrrolidine-2-carboxamide

C13H26N2OS — CID 106975714

IUPACN-methyl-N-(1-methylsulfanylpropan-2-yl)-2-propylpyrrolidine-2-carboxamide
SMILESCCCC1(C(=O)N(C)C(C)CSC)CCCN1
InChIInChI=1S/C13H26N2OS/c1-5-7-13(8-6-9-14-13)12(16)15(3)11(2)10-17-4/h11,14H,5-10H2,1-4H3
InChIKeyXEPHPWQYGNYDPX-UHFFFAOYSA-N
MW258.43 g/mol
LogP2.12
Rot. Bonds6

About N-methyl-N-(1-methylsulfanylpropan-2-yl)-2-propylpyrrolidine-2-carboxamide

N-methyl-N-(1-methylsulfanylpropan-2-yl)-2-propylpyrrolidine-2-carboxamide (PubChem CID 106975714) has the molecular formula C13H26N2OS and a molecular weight of 258.43 g/mol. Its IUPAC name is N-methyl-N-(1-methylsulfanylpropan-2-yl)-2-propylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-methyl-N-(1-methylsulfanylpropan-2-yl)-2-propylpyrrolidine-2-carboxamide
PubChem CID106975714
Molecular FormulaC13H26N2OS
Molecular Weight258.43 g/mol
Exact Mass258.18
IUPAC NameN-methyl-N-(1-methylsulfanylpropan-2-yl)-2-propylpyrrolidine-2-carboxamide
SMILESCCCC1(C(=O)N(C)C(C)CSC)CCCN1
InChIInChI=1S/C13H26N2OS/c1-5-7-13(8-6-9-14-13)12(16)15(3)11(2)10-17-4/h11,14H,5-10H2,1-4H3
InChIKeyXEPHPWQYGNYDPX-UHFFFAOYSA-N
XLogP2.12
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.43
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,3-dimethylbutan-2-yl)-N-methyl-2-propylpyrrolidine-2-carboxamide
CID 106974598
N,N-bis(2-methylpropyl)-2-propylpyrrolidine-2-carboxamide
CID 106974292
N-propan-2-yl-N,2-dipropylpyrrolidine-2-carboxamide
CID 106974202
2-ethyl-N-methyl-N-propan-2-ylpyrrolidine-2-carboxamide
CID 83080860
N-[1-(3-chlorophenyl)ethyl]-N-methyl-2-propylpyrrolidine-2-carboxamide
CID 106974771
N-ethyl-N,2-dipropylpyrrolidine-2-carboxamide
CID 106974201
N-methyl-N-[2-(methylamino)ethyl]-2-propylpyrrolidine-2-carboxamide
CID 106975276
N-(3-hydroxypropyl)-N-propan-2-yl-2-propylpyrrolidine-2-carboxamide
CID 106974762
N-methyl-N-(1-propan-2-ylpiperidin-4-yl)-2-propylpyrrolidine-2-carboxamide
CID 106974576
N-(1-cyanopropan-2-yl)-2-ethyl-N-methylpyrrolidine-2-carboxamide
CID 83072233
N-methyl-N-(4-methylphenyl)-2-propylpyrrolidine-2-carboxamide
CID 106975073
N-methyl-N-(3-methylcyclohexyl)-2-propylpyrrolidine-2-carboxamide
CID 106974976

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(1-methylsulfanylpropan-2-yl)-2-propylpyrrolidine-2-carboxamide?
The IUPAC name of N-methyl-N-(1-methylsulfanylpropan-2-yl)-2-propylpyrrolidine-2-carboxamide (CID 106975714) is N-methyl-N-(1-methylsulfanylpropan-2-yl)-2-propylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-methyl-N-(1-methylsulfanylpropan-2-yl)-2-propylpyrrolidine-2-carboxamide?
The canonical SMILES for N-methyl-N-(1-methylsulfanylpropan-2-yl)-2-propylpyrrolidine-2-carboxamide is CCCC1(C(=O)N(C)C(C)CSC)CCCN1.
What is the InChIKey of N-methyl-N-(1-methylsulfanylpropan-2-yl)-2-propylpyrrolidine-2-carboxamide?
The InChIKey is XEPHPWQYGNYDPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2OS/c1-5-7-13(8-6-9-14-13)12(16)15(3)11(2)10-17-4/h11,14H,5-10H2,1-4H3.
What are the key properties of N-methyl-N-(1-methylsulfanylpropan-2-yl)-2-propylpyrrolidine-2-carboxamide?
N-methyl-N-(1-methylsulfanylpropan-2-yl)-2-propylpyrrolidine-2-carboxamide has a molecular weight of 258.43 g/mol, XLogP of 2.12, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(1-methylsulfanylpropan-2-yl)-2-propylpyrrolidine-2-carboxamide is sourced from PubChem (CID 106975714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).