N-[(4,5-dimethylthiophen-2-yl)methyl]-2-thiomorpholin-4-ylpropanamide

C14H22N2OS2 — CID 166190895

IUPACN-[(4,5-dimethylthiophen-2-yl)methyl]-2-thiomorpholin-4-ylpropanamide
SMILESCc1cc(CNC(=O)C(C)N2CCSCC2)sc1C
InChIInChI=1S/C14H22N2OS2/c1-10-8-13(19-12(10)3)9-15-14(17)11(2)16-4-6-18-7-5-16/h8,11H,4-7,9H2,1-3H3,(H,15,17)
InChIKeyCIEPYHOCBQSQEM-UHFFFAOYSA-N
MW298.48 g/mol
LogP2.42
Rot. Bonds4

About N-[(4,5-dimethylthiophen-2-yl)methyl]-2-thiomorpholin-4-ylpropanamide

N-[(4,5-dimethylthiophen-2-yl)methyl]-2-thiomorpholin-4-ylpropanamide (PubChem CID 166190895) has the molecular formula C14H22N2OS2 and a molecular weight of 298.48 g/mol. Its IUPAC name is N-[(4,5-dimethylthiophen-2-yl)methyl]-2-thiomorpholin-4-ylpropanamide.

Molecular Properties

Compound NameN-[(4,5-dimethylthiophen-2-yl)methyl]-2-thiomorpholin-4-ylpropanamide
PubChem CID166190895
Molecular FormulaC14H22N2OS2
Molecular Weight298.48 g/mol
Exact Mass298.12
IUPAC NameN-[(4,5-dimethylthiophen-2-yl)methyl]-2-thiomorpholin-4-ylpropanamide
SMILESCc1cc(CNC(=O)C(C)N2CCSCC2)sc1C
InChIInChI=1S/C14H22N2OS2/c1-10-8-13(19-12(10)3)9-15-14(17)11(2)16-4-6-18-7-5-16/h8,11H,4-7,9H2,1-3H3,(H,15,17)
InChIKeyCIEPYHOCBQSQEM-UHFFFAOYSA-N
XLogP2.42
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.48
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-N-[(4,5-dimethylthiophen-2-yl)methyl]propanamide
CID 107905367
N-[(4-methylphenyl)methyl]-2-thiomorpholin-4-ylpropanamide
CID 86993654
2-chloro-N-[(4,5-dimethylthiophen-2-yl)methylcarbamoyl]propanamide
CID 65245641
4-amino-5-[(4,5-dimethylthiophen-2-yl)methylamino]-5-oxopentanoic acid
CID 65241327
1-[[(4,5-dimethylthiophen-2-yl)methylcarbamoylamino]methyl]cyclopropane-1-carboxylic acid
CID 113312589
N-hydroxy-2-thiomorpholin-4-ylpropanamide
CID 130625888
4-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]pentanamide
CID 65241375
2-acetamido-N-[(4,5-dimethylthiophen-2-yl)methyl]-3-sulfanylpropanamide
CID 107769625
2-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]-2-phenylacetamide
CID 65241218
(2S)-2-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]-2-phenylacetamide
CID 104898011
(2S)-N-[5-(hydroxymethyl)-2-methylphenyl]-2-thiomorpholin-4-ylpropanamide
CID 97249140
2-[(4,5-dimethylthiophen-2-yl)methylamino]-N-methylpropanamide
CID 65244115

Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dimethylthiophen-2-yl)methyl]-2-thiomorpholin-4-ylpropanamide?
The IUPAC name of N-[(4,5-dimethylthiophen-2-yl)methyl]-2-thiomorpholin-4-ylpropanamide (CID 166190895) is N-[(4,5-dimethylthiophen-2-yl)methyl]-2-thiomorpholin-4-ylpropanamide.
What is the SMILES notation for N-[(4,5-dimethylthiophen-2-yl)methyl]-2-thiomorpholin-4-ylpropanamide?
The canonical SMILES for N-[(4,5-dimethylthiophen-2-yl)methyl]-2-thiomorpholin-4-ylpropanamide is Cc1cc(CNC(=O)C(C)N2CCSCC2)sc1C.
What is the InChIKey of N-[(4,5-dimethylthiophen-2-yl)methyl]-2-thiomorpholin-4-ylpropanamide?
The InChIKey is CIEPYHOCBQSQEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2OS2/c1-10-8-13(19-12(10)3)9-15-14(17)11(2)16-4-6-18-7-5-16/h8,11H,4-7,9H2,1-3H3,(H,15,17).
What are the key properties of N-[(4,5-dimethylthiophen-2-yl)methyl]-2-thiomorpholin-4-ylpropanamide?
N-[(4,5-dimethylthiophen-2-yl)methyl]-2-thiomorpholin-4-ylpropanamide has a molecular weight of 298.48 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,5-dimethylthiophen-2-yl)methyl]-2-thiomorpholin-4-ylpropanamide is sourced from PubChem (CID 166190895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).