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

C15H23N3OS — CID 103422110

IUPAC3-amino-5-[cyclopentylmethyl(methyl)amino]-N-prop-2-enylthiophene-2-carboxamide
SMILESC=CCNC(=O)c1sc(N(C)CC2CCCC2)cc1N
InChIInChI=1S/C15H23N3OS/c1-3-8-17-15(19)14-12(16)9-13(20-14)18(2)10-11-6-4-5-7-11/h3,9,11H,1,4-8,10,16H2,2H3,(H,17,19)
InChIKeyLASVUZFOOOXRPA-UHFFFAOYSA-N
MW293.44 g/mol
LogP2.87
Rot. Bonds6

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

3-amino-5-[cyclopentylmethyl(methyl)amino]-N-prop-2-enylthiophene-2-carboxamide (PubChem CID 103422110) has the molecular formula C15H23N3OS and a molecular weight of 293.44 g/mol. Its IUPAC name is 3-amino-5-[cyclopentylmethyl(methyl)amino]-N-prop-2-enylthiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-5-[cyclopentylmethyl(methyl)amino]-N-prop-2-enylthiophene-2-carboxamide
PubChem CID103422110
Molecular FormulaC15H23N3OS
Molecular Weight293.44 g/mol
Exact Mass293.16
IUPAC Name3-amino-5-[cyclopentylmethyl(methyl)amino]-N-prop-2-enylthiophene-2-carboxamide
SMILESC=CCNC(=O)c1sc(N(C)CC2CCCC2)cc1N
InChIInChI=1S/C15H23N3OS/c1-3-8-17-15(19)14-12(16)9-13(20-14)18(2)10-11-6-4-5-7-11/h3,9,11H,1,4-8,10,16H2,2H3,(H,17,19)
InChIKeyLASVUZFOOOXRPA-UHFFFAOYSA-N
XLogP2.87
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.44
LogP ≤ 52.87
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-[cyclopropylmethyl(methyl)amino]-N-prop-2-enylthiophene-2-carboxamide
CID 103509596
3-amino-5-[cyclohexylmethyl(methyl)amino]-N-ethylthiophene-2-carboxamide
CID 103417956
1-[3-amino-5-[cyclopentylmethyl(methyl)amino]thiophen-2-yl]ethanone
CID 103422109
3-amino-5-[cyclopropylmethyl(methyl)amino]-N-methylthiophene-2-carboxamide
CID 103509542
3-amino-5-[bis(2-methylpropyl)amino]-N-prop-2-enylthiophene-2-carboxamide
CID 103509837
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-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N-prop-2-enylthiophene-2-carboxamide
CID 103421513
3-amino-5-[cyclobutylmethyl(ethyl)amino]-N-ethylthiophene-2-carboxamide
CID 107403346
3-amino-5-methylsulfanyl-N-prop-2-enylthiophene-2-carboxamide
CID 103526692
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-[cyclopentylmethyl(methyl)amino]-N-prop-2-enylthiophene-2-carboxamide?
The IUPAC name of 3-amino-5-[cyclopentylmethyl(methyl)amino]-N-prop-2-enylthiophene-2-carboxamide (CID 103422110) is 3-amino-5-[cyclopentylmethyl(methyl)amino]-N-prop-2-enylthiophene-2-carboxamide.
What is the SMILES notation for 3-amino-5-[cyclopentylmethyl(methyl)amino]-N-prop-2-enylthiophene-2-carboxamide?
The canonical SMILES for 3-amino-5-[cyclopentylmethyl(methyl)amino]-N-prop-2-enylthiophene-2-carboxamide is C=CCNC(=O)c1sc(N(C)CC2CCCC2)cc1N.
What is the InChIKey of 3-amino-5-[cyclopentylmethyl(methyl)amino]-N-prop-2-enylthiophene-2-carboxamide?
The InChIKey is LASVUZFOOOXRPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3OS/c1-3-8-17-15(19)14-12(16)9-13(20-14)18(2)10-11-6-4-5-7-11/h3,9,11H,1,4-8,10,16H2,2H3,(H,17,19).
What are the key properties of 3-amino-5-[cyclopentylmethyl(methyl)amino]-N-prop-2-enylthiophene-2-carboxamide?
3-amino-5-[cyclopentylmethyl(methyl)amino]-N-prop-2-enylthiophene-2-carboxamide has a molecular weight of 293.44 g/mol, XLogP of 2.87, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-[cyclopentylmethyl(methyl)amino]-N-prop-2-enylthiophene-2-carboxamide is sourced from PubChem (CID 103422110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).