N-methyl-N-(thiophen-3-ylmethyl)propanamide

C9H13NOS — CID 39966818

IUPACN-methyl-N-(thiophen-3-ylmethyl)propanamide
SMILESCCC(=O)N(C)Cc1ccsc1
InChIInChI=1S/C9H13NOS/c1-3-9(11)10(2)6-8-4-5-12-7-8/h4-5,7H,3,6H2,1-2H3
InChIKeyZXXSCBQKYXIUGK-UHFFFAOYSA-N
MW183.28 g/mol
LogP2.12
Rot. Bonds3

About N-methyl-N-(thiophen-3-ylmethyl)propanamide

N-methyl-N-(thiophen-3-ylmethyl)propanamide (PubChem CID 39966818) has the molecular formula C9H13NOS and a molecular weight of 183.28 g/mol. Its IUPAC name is N-methyl-N-(thiophen-3-ylmethyl)propanamide.

Molecular Properties

Compound NameN-methyl-N-(thiophen-3-ylmethyl)propanamide
PubChem CID39966818
Molecular FormulaC9H13NOS
Molecular Weight183.28 g/mol
Exact Mass183.07
IUPAC NameN-methyl-N-(thiophen-3-ylmethyl)propanamide
SMILESCCC(=O)N(C)Cc1ccsc1
InChIInChI=1S/C9H13NOS/c1-3-9(11)10(2)6-8-4-5-12-7-8/h4-5,7H,3,6H2,1-2H3
InChIKeyZXXSCBQKYXIUGK-UHFFFAOYSA-N
XLogP2.12
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.28
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(thiophen-3-ylmethyl)propanamide?
The IUPAC name of N-methyl-N-(thiophen-3-ylmethyl)propanamide (CID 39966818) is N-methyl-N-(thiophen-3-ylmethyl)propanamide.
What is the SMILES notation for N-methyl-N-(thiophen-3-ylmethyl)propanamide?
The canonical SMILES for N-methyl-N-(thiophen-3-ylmethyl)propanamide is CCC(=O)N(C)Cc1ccsc1.
What is the InChIKey of N-methyl-N-(thiophen-3-ylmethyl)propanamide?
The InChIKey is ZXXSCBQKYXIUGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NOS/c1-3-9(11)10(2)6-8-4-5-12-7-8/h4-5,7H,3,6H2,1-2H3.
What are the key properties of N-methyl-N-(thiophen-3-ylmethyl)propanamide?
N-methyl-N-(thiophen-3-ylmethyl)propanamide has a molecular weight of 183.28 g/mol, XLogP of 2.12, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(thiophen-3-ylmethyl)propanamide is sourced from PubChem (CID 39966818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).