3-amino-5-[cyclopropylmethyl(methyl)amino]-N-prop-2-enylthiophene-2-carboxamide

C13H19N3OS — CID 103509596

IUPAC3-amino-5-[cyclopropylmethyl(methyl)amino]-N-prop-2-enylthiophene-2-carboxamide
SMILESC=CCNC(=O)c1sc(N(C)CC2CC2)cc1N
InChIInChI=1S/C13H19N3OS/c1-3-6-15-13(17)12-10(14)7-11(18-12)16(2)8-9-4-5-9/h3,7,9H,1,4-6,8,14H2,2H3,(H,15,17)
InChIKeyULHGGGVTPOBLMD-UHFFFAOYSA-N
MW265.38 g/mol
LogP2.09
Rot. Bonds6

About 3-amino-5-[cyclopropylmethyl(methyl)amino]-N-prop-2-enylthiophene-2-carboxamide

3-amino-5-[cyclopropylmethyl(methyl)amino]-N-prop-2-enylthiophene-2-carboxamide (PubChem CID 103509596) has the molecular formula C13H19N3OS and a molecular weight of 265.38 g/mol. Its IUPAC name is 3-amino-5-[cyclopropylmethyl(methyl)amino]-N-prop-2-enylthiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-5-[cyclopropylmethyl(methyl)amino]-N-prop-2-enylthiophene-2-carboxamide
PubChem CID103509596
Molecular FormulaC13H19N3OS
Molecular Weight265.38 g/mol
Exact Mass265.12
IUPAC Name3-amino-5-[cyclopropylmethyl(methyl)amino]-N-prop-2-enylthiophene-2-carboxamide
SMILESC=CCNC(=O)c1sc(N(C)CC2CC2)cc1N
InChIInChI=1S/C13H19N3OS/c1-3-6-15-13(17)12-10(14)7-11(18-12)16(2)8-9-4-5-9/h3,7,9H,1,4-6,8,14H2,2H3,(H,15,17)
InChIKeyULHGGGVTPOBLMD-UHFFFAOYSA-N
XLogP2.09
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-5-[cyclopentylmethyl(methyl)amino]-N-prop-2-enylthiophene-2-carboxamide
CID 103422110
3-amino-5-[cyclopropylmethyl(methyl)amino]-N-methylthiophene-2-carboxamide
CID 103509542
3-amino-5-[cyclohexylmethyl(methyl)amino]-N-ethylthiophene-2-carboxamide
CID 103417956
3-amino-5-[bis(2-methylpropyl)amino]-N-prop-2-enylthiophene-2-carboxamide
CID 103509837
1-[3-amino-5-[cyclopentylmethyl(methyl)amino]thiophen-2-yl]ethanone
CID 103422109
3-amino-5-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N-prop-2-enylthiophene-2-carboxamide
CID 103421513
3-amino-N-methyl-5-[methyl(oxan-3-ylmethyl)amino]thiophene-2-carboxamide
CID 103422316
3-amino-4-cyano-5-[cyclobutylmethyl(methyl)amino]-N-prop-2-enylthiophene-2-carboxamide
CID 103421463
3-amino-5-methylsulfanyl-N-prop-2-enylthiophene-2-carboxamide
CID 103526692
3-amino-5-[cyclobutylmethyl(ethyl)amino]-N-ethylthiophene-2-carboxamide
CID 107403346
3-amino-5-(pentan-3-ylamino)-N-prop-2-enylthiophene-2-carboxamide
CID 103424021
3-amino-5-[2-(diethylamino)ethylamino]-N-prop-2-enylthiophene-2-carboxamide
CID 103424763

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-[cyclopropylmethyl(methyl)amino]-N-prop-2-enylthiophene-2-carboxamide?
The IUPAC name of 3-amino-5-[cyclopropylmethyl(methyl)amino]-N-prop-2-enylthiophene-2-carboxamide (CID 103509596) is 3-amino-5-[cyclopropylmethyl(methyl)amino]-N-prop-2-enylthiophene-2-carboxamide.
What is the SMILES notation for 3-amino-5-[cyclopropylmethyl(methyl)amino]-N-prop-2-enylthiophene-2-carboxamide?
The canonical SMILES for 3-amino-5-[cyclopropylmethyl(methyl)amino]-N-prop-2-enylthiophene-2-carboxamide is C=CCNC(=O)c1sc(N(C)CC2CC2)cc1N.
What is the InChIKey of 3-amino-5-[cyclopropylmethyl(methyl)amino]-N-prop-2-enylthiophene-2-carboxamide?
The InChIKey is ULHGGGVTPOBLMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3OS/c1-3-6-15-13(17)12-10(14)7-11(18-12)16(2)8-9-4-5-9/h3,7,9H,1,4-6,8,14H2,2H3,(H,15,17).
What are the key properties of 3-amino-5-[cyclopropylmethyl(methyl)amino]-N-prop-2-enylthiophene-2-carboxamide?
3-amino-5-[cyclopropylmethyl(methyl)amino]-N-prop-2-enylthiophene-2-carboxamide has a molecular weight of 265.38 g/mol, XLogP of 2.09, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-[cyclopropylmethyl(methyl)amino]-N-prop-2-enylthiophene-2-carboxamide is sourced from PubChem (CID 103509596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).