3-(3-aminoprop-1-ynyl)-N-cycloheptylthiophene-2-carboxamide

C15H20N2OS — CID 63801612

IUPAC3-(3-aminoprop-1-ynyl)-N-cycloheptylthiophene-2-carboxamide
SMILESNCC#Cc1ccsc1C(=O)NC1CCCCCC1
InChIInChI=1S/C15H20N2OS/c16-10-5-6-12-9-11-19-14(12)15(18)17-13-7-3-1-2-4-8-13/h9,11,13H,1-4,7-8,10,16H2,(H,17,18)
InChIKeyMWWKLFMTZGIIOA-UHFFFAOYSA-N
MW276.41 g/mol
LogP2.51
Rot. Bonds2

About 3-(3-aminoprop-1-ynyl)-N-cycloheptylthiophene-2-carboxamide

3-(3-aminoprop-1-ynyl)-N-cycloheptylthiophene-2-carboxamide (PubChem CID 63801612) has the molecular formula C15H20N2OS and a molecular weight of 276.41 g/mol. Its IUPAC name is 3-(3-aminoprop-1-ynyl)-N-cycloheptylthiophene-2-carboxamide.

Molecular Properties

Compound Name3-(3-aminoprop-1-ynyl)-N-cycloheptylthiophene-2-carboxamide
PubChem CID63801612
Molecular FormulaC15H20N2OS
Molecular Weight276.41 g/mol
Exact Mass276.13
IUPAC Name3-(3-aminoprop-1-ynyl)-N-cycloheptylthiophene-2-carboxamide
SMILESNCC#Cc1ccsc1C(=O)NC1CCCCCC1
InChIInChI=1S/C15H20N2OS/c16-10-5-6-12-9-11-19-14(12)15(18)17-13-7-3-1-2-4-8-13/h9,11,13H,1-4,7-8,10,16H2,(H,17,18)
InChIKeyMWWKLFMTZGIIOA-UHFFFAOYSA-N
XLogP2.51
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.41
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(3-aminoprop-1-ynyl)-N-[3-(cyclopropylamino)-3-oxopropyl]thiophene-2-carboxamide
CID 79395534
2-(3-aminoprop-1-ynyl)-N-cyclohexylbenzamide
CID 54921994
3-(3-aminoprop-1-ynyl)-N-(thiolan-2-ylmethyl)thiophene-2-carboxamide
CID 80586271
3-(3-aminoprop-1-ynyl)-N-(2-cyclopropylpropan-2-yl)thiophene-2-carboxamide
CID 114112039
3-(3-aminoprop-1-ynyl)-N-pyrimidin-2-ylthiophene-2-carboxamide
CID 63801441
N-(2-amino-2-oxoethyl)-3-(3-aminoprop-1-ynyl)thiophene-2-carboxamide
CID 63800896
3-(3-aminoprop-1-ynyl)-N-(2-methylbutan-2-yl)thiophene-2-carboxamide
CID 63799843
3-(3-aminoprop-1-ynyl)-N-butylthiophene-2-carboxamide
CID 63800208
2-(3-aminoprop-1-ynyl)-N-cycloheptyl-4-fluorobenzamide
CID 60822472
3-(4-hydroxybut-1-ynyl)-N-(1-methylpiperidin-3-yl)thiophene-2-carboxamide
CID 63796588
3-(3-aminoprop-1-ynyl)-N-(2,2-difluoroethyl)thiophene-2-carboxamide
CID 115408372
3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-[3-(3-aminoprop-1-ynyl)thiophen-2-yl]methanone
CID 115561139

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminoprop-1-ynyl)-N-cycloheptylthiophene-2-carboxamide?
The IUPAC name of 3-(3-aminoprop-1-ynyl)-N-cycloheptylthiophene-2-carboxamide (CID 63801612) is 3-(3-aminoprop-1-ynyl)-N-cycloheptylthiophene-2-carboxamide.
What is the SMILES notation for 3-(3-aminoprop-1-ynyl)-N-cycloheptylthiophene-2-carboxamide?
The canonical SMILES for 3-(3-aminoprop-1-ynyl)-N-cycloheptylthiophene-2-carboxamide is NCC#Cc1ccsc1C(=O)NC1CCCCCC1.
What is the InChIKey of 3-(3-aminoprop-1-ynyl)-N-cycloheptylthiophene-2-carboxamide?
The InChIKey is MWWKLFMTZGIIOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2OS/c16-10-5-6-12-9-11-19-14(12)15(18)17-13-7-3-1-2-4-8-13/h9,11,13H,1-4,7-8,10,16H2,(H,17,18).
What are the key properties of 3-(3-aminoprop-1-ynyl)-N-cycloheptylthiophene-2-carboxamide?
3-(3-aminoprop-1-ynyl)-N-cycloheptylthiophene-2-carboxamide has a molecular weight of 276.41 g/mol, XLogP of 2.51, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminoprop-1-ynyl)-N-cycloheptylthiophene-2-carboxamide is sourced from PubChem (CID 63801612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).