N-methyl-3-sulfanyl-N-(2-thiophen-2-ylethyl)propanamide

C10H15NOS2 — CID 107032192

IUPACN-methyl-3-sulfanyl-N-(2-thiophen-2-ylethyl)propanamide
SMILESCN(CCc1cccs1)C(=O)CCS
InChIInChI=1S/C10H15NOS2/c1-11(10(12)5-7-13)6-4-9-3-2-8-14-9/h2-3,8,13H,4-7H2,1H3
InChIKeyIVHVHBWSHOTNJO-UHFFFAOYSA-N
MW229.37 g/mol
LogP2.07
Rot. Bonds5

About N-methyl-3-sulfanyl-N-(2-thiophen-2-ylethyl)propanamide

N-methyl-3-sulfanyl-N-(2-thiophen-2-ylethyl)propanamide (PubChem CID 107032192) has the molecular formula C10H15NOS2 and a molecular weight of 229.37 g/mol. Its IUPAC name is N-methyl-3-sulfanyl-N-(2-thiophen-2-ylethyl)propanamide.

Molecular Properties

Compound NameN-methyl-3-sulfanyl-N-(2-thiophen-2-ylethyl)propanamide
PubChem CID107032192
Molecular FormulaC10H15NOS2
Molecular Weight229.37 g/mol
Exact Mass229.06
IUPAC NameN-methyl-3-sulfanyl-N-(2-thiophen-2-ylethyl)propanamide
SMILESCN(CCc1cccs1)C(=O)CCS
InChIInChI=1S/C10H15NOS2/c1-11(10(12)5-7-13)6-4-9-3-2-8-14-9/h2-3,8,13H,4-7H2,1H3
InChIKeyIVHVHBWSHOTNJO-UHFFFAOYSA-N
XLogP2.07
TPSA20.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

methyl 4-[methyl(2-thiophen-2-ylethyl)amino]-4-oxobutanoate
CID 110733429
5-[methyl(2-thiophen-2-ylethyl)amino]-5-oxopentanoic acid
CID 79476519
4-amino-N-methyl-N-(2-thiophen-2-ylethyl)pentanamide
CID 79494506
N-methyl-3-thiophen-2-yl-N-(thiophen-2-ylmethyl)propanamide
CID 110733634
2-[2-[methyl(2-thiophen-2-ylethyl)amino]-2-oxoethoxy]acetic acid
CID 79476518
3-methyl-5-[methyl(2-thiophen-2-ylethyl)amino]-5-oxopentanoic acid
CID 79475565
(3S)-3-(aminomethyl)-N,5-dimethyl-N-(2-thiophen-2-ylethyl)hexanamide
CID 79493813
3-hydroxy-N-methyl-N-(thiophen-2-ylmethyl)propanamide
CID 115139118
N,N-dimethyl-2-thiophen-2-ylethanamine;hydrochloride
CID 19760547
N-methyl-2-sulfanyl-N-(2-thiophen-2-ylethyl)benzamide
CID 107032184
2-(4-methoxyphenyl)-N-methyl-N-(2-thiophen-2-ylethyl)acetamide
CID 110733443
2-(1,3-dioxoisoindol-2-yl)-N-methyl-N-(2-thiophen-2-ylethyl)acetamide
CID 110733447

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-sulfanyl-N-(2-thiophen-2-ylethyl)propanamide?
The IUPAC name of N-methyl-3-sulfanyl-N-(2-thiophen-2-ylethyl)propanamide (CID 107032192) is N-methyl-3-sulfanyl-N-(2-thiophen-2-ylethyl)propanamide.
What is the SMILES notation for N-methyl-3-sulfanyl-N-(2-thiophen-2-ylethyl)propanamide?
The canonical SMILES for N-methyl-3-sulfanyl-N-(2-thiophen-2-ylethyl)propanamide is CN(CCc1cccs1)C(=O)CCS.
What is the InChIKey of N-methyl-3-sulfanyl-N-(2-thiophen-2-ylethyl)propanamide?
The InChIKey is IVHVHBWSHOTNJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NOS2/c1-11(10(12)5-7-13)6-4-9-3-2-8-14-9/h2-3,8,13H,4-7H2,1H3.
What are the key properties of N-methyl-3-sulfanyl-N-(2-thiophen-2-ylethyl)propanamide?
N-methyl-3-sulfanyl-N-(2-thiophen-2-ylethyl)propanamide has a molecular weight of 229.37 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-sulfanyl-N-(2-thiophen-2-ylethyl)propanamide is sourced from PubChem (CID 107032192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).