N-cyclopropyl-3-(1,2-dithiophen-2-ylethylamino)propanamide

C16H20N2OS2 — CID 79378036

IUPACN-cyclopropyl-3-(1,2-dithiophen-2-ylethylamino)propanamide
SMILESO=C(CCNC(Cc1cccs1)c1cccs1)NC1CC1
InChIInChI=1S/C16H20N2OS2/c19-16(18-12-5-6-12)7-8-17-14(15-4-2-10-21-15)11-13-3-1-9-20-13/h1-4,9-10,12,14,17H,5-8,11H2,(H,18,19)
InChIKeyRSULSBLFKQJSTI-UHFFFAOYSA-N
MW320.48 g/mol
LogP3.35
Rot. Bonds8

About N-cyclopropyl-3-(1,2-dithiophen-2-ylethylamino)propanamide

N-cyclopropyl-3-(1,2-dithiophen-2-ylethylamino)propanamide (PubChem CID 79378036) has the molecular formula C16H20N2OS2 and a molecular weight of 320.48 g/mol. Its IUPAC name is N-cyclopropyl-3-(1,2-dithiophen-2-ylethylamino)propanamide.

Molecular Properties

Compound NameN-cyclopropyl-3-(1,2-dithiophen-2-ylethylamino)propanamide
PubChem CID79378036
Molecular FormulaC16H20N2OS2
Molecular Weight320.48 g/mol
Exact Mass320.10
IUPAC NameN-cyclopropyl-3-(1,2-dithiophen-2-ylethylamino)propanamide
SMILESO=C(CCNC(Cc1cccs1)c1cccs1)NC1CC1
InChIInChI=1S/C16H20N2OS2/c19-16(18-12-5-6-12)7-8-17-14(15-4-2-10-21-15)11-13-3-1-9-20-13/h1-4,9-10,12,14,17H,5-8,11H2,(H,18,19)
InChIKeyRSULSBLFKQJSTI-UHFFFAOYSA-N
XLogP3.35
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.48
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclopropyl-2-(1,2-dithiophen-2-ylethylamino)ethanol
CID 63294884
N-(4-methylcyclohexyl)-3-thiophen-2-ylpropanamide
CID 78791745
N-cyclopropyl-4-[(2-hydroxy-2-thiophen-2-ylethyl)amino]butanamide
CID 79394046
2-[2-(1,2-dithiophen-2-ylethylamino)ethoxy]ethanol
CID 43771514
N-(1,2-dithiophen-2-ylethyl)cyclohexanamine
CID 43756050
N-ethyl-1,2-dithiophen-2-ylethanamine
CID 43755169
1-[(1,2-dithiophen-2-ylethylamino)methyl]cyclopentan-1-ol
CID 65105159
N-cyclopentyl-2-(1-thiophen-2-ylpropylamino)acetamide
CID 54964472
N-(oxan-4-yl)-2-(1-thiophen-2-ylpropan-2-ylamino)acetamide
CID 63291806
N-cyclooctyl-2-thiophen-2-ylacetamide
CID 17256729
N-[(1R)-1-cyclohexylethyl]-1,2-dithiophen-2-ylethanamine
CID 81391508
3-(cyclopropylamino)-N-[(1S)-1-thiophen-2-ylethyl]propanamide
CID 81408603

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-(1,2-dithiophen-2-ylethylamino)propanamide?
The IUPAC name of N-cyclopropyl-3-(1,2-dithiophen-2-ylethylamino)propanamide (CID 79378036) is N-cyclopropyl-3-(1,2-dithiophen-2-ylethylamino)propanamide.
What is the SMILES notation for N-cyclopropyl-3-(1,2-dithiophen-2-ylethylamino)propanamide?
The canonical SMILES for N-cyclopropyl-3-(1,2-dithiophen-2-ylethylamino)propanamide is O=C(CCNC(Cc1cccs1)c1cccs1)NC1CC1.
What is the InChIKey of N-cyclopropyl-3-(1,2-dithiophen-2-ylethylamino)propanamide?
The InChIKey is RSULSBLFKQJSTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2OS2/c19-16(18-12-5-6-12)7-8-17-14(15-4-2-10-21-15)11-13-3-1-9-20-13/h1-4,9-10,12,14,17H,5-8,11H2,(H,18,19).
What are the key properties of N-cyclopropyl-3-(1,2-dithiophen-2-ylethylamino)propanamide?
N-cyclopropyl-3-(1,2-dithiophen-2-ylethylamino)propanamide has a molecular weight of 320.48 g/mol, XLogP of 3.35, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-(1,2-dithiophen-2-ylethylamino)propanamide is sourced from PubChem (CID 79378036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).