N-(1,4-dimethylpyrrolidin-3-yl)-2-methylsulfanylacetamide

C9H18N2OS — CID 130703137

IUPACN-(1,4-dimethylpyrrolidin-3-yl)-2-methylsulfanylacetamide
SMILESCSCC(=O)NC1CN(C)CC1C
InChIInChI=1S/C9H18N2OS/c1-7-4-11(2)5-8(7)10-9(12)6-13-3/h7-8H,4-6H2,1-3H3,(H,10,12)
InChIKeyHLSSRJCCDDGDDG-UHFFFAOYSA-N
MW202.32 g/mol
LogP0.42
Rot. Bonds3

About N-(1,4-dimethylpyrrolidin-3-yl)-2-methylsulfanylacetamide

N-(1,4-dimethylpyrrolidin-3-yl)-2-methylsulfanylacetamide (PubChem CID 130703137) has the molecular formula C9H18N2OS and a molecular weight of 202.32 g/mol. Its IUPAC name is N-(1,4-dimethylpyrrolidin-3-yl)-2-methylsulfanylacetamide.

Molecular Properties

Compound NameN-(1,4-dimethylpyrrolidin-3-yl)-2-methylsulfanylacetamide
PubChem CID130703137
Molecular FormulaC9H18N2OS
Molecular Weight202.32 g/mol
Exact Mass202.11
IUPAC NameN-(1,4-dimethylpyrrolidin-3-yl)-2-methylsulfanylacetamide
SMILESCSCC(=O)NC1CN(C)CC1C
InChIInChI=1S/C9H18N2OS/c1-7-4-11(2)5-8(7)10-9(12)6-13-3/h7-8H,4-6H2,1-3H3,(H,10,12)
InChIKeyHLSSRJCCDDGDDG-UHFFFAOYSA-N
XLogP0.42
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.32
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R,2R)-2-aminocyclohexyl]-2-methylsulfanylacetamide
CID 93452012
2-tritritiosilylethyl N-(1,4-dimethylpyrrolidin-3-yl)carbamate
CID 59272029
N-(azetidin-3-yl)-2-methylsulfanylacetamide
CID 66185125
N-(4-ethyl-1-methylpyrrolidin-3-yl)propanamide
CID 131175770
N,1,4-trimethylpyrrolidin-3-amine
CID 123430116
N-[2-(chloromethyl)cyclohexyl]-2-methylsulfanylacetamide
CID 106366717
2-(tert-butylamino)-N-(1,3-dimethylpiperidin-4-yl)acetamide
CID 113228751
N-[[(1S,2R)-2-methylcyclohexyl]carbamoyl]-2-methylsulfanylacetamide
CID 94157809
N-(1,3-dimethylpiperidin-4-yl)-2-piperidin-4-ylacetamide
CID 113267502
2-(1-aminocyclopentyl)-N-(1,3-dimethylpiperidin-4-yl)acetamide
CID 114503698
N-(3-hydroxycyclohexyl)-2-methylsulfanylacetamide
CID 131160438
N-(1,3-dimethylpiperidin-4-yl)-2-(2-hydroxyphenyl)acetamide
CID 115603667

Frequently Asked Questions

What is the IUPAC name of N-(1,4-dimethylpyrrolidin-3-yl)-2-methylsulfanylacetamide?
The IUPAC name of N-(1,4-dimethylpyrrolidin-3-yl)-2-methylsulfanylacetamide (CID 130703137) is N-(1,4-dimethylpyrrolidin-3-yl)-2-methylsulfanylacetamide.
What is the SMILES notation for N-(1,4-dimethylpyrrolidin-3-yl)-2-methylsulfanylacetamide?
The canonical SMILES for N-(1,4-dimethylpyrrolidin-3-yl)-2-methylsulfanylacetamide is CSCC(=O)NC1CN(C)CC1C.
What is the InChIKey of N-(1,4-dimethylpyrrolidin-3-yl)-2-methylsulfanylacetamide?
The InChIKey is HLSSRJCCDDGDDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2OS/c1-7-4-11(2)5-8(7)10-9(12)6-13-3/h7-8H,4-6H2,1-3H3,(H,10,12).
What are the key properties of N-(1,4-dimethylpyrrolidin-3-yl)-2-methylsulfanylacetamide?
N-(1,4-dimethylpyrrolidin-3-yl)-2-methylsulfanylacetamide has a molecular weight of 202.32 g/mol, XLogP of 0.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,4-dimethylpyrrolidin-3-yl)-2-methylsulfanylacetamide is sourced from PubChem (CID 130703137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).