3-amino-5-(cyclohexylamino)-4-methylsulfanyl-N-prop-2-enylthiophene-2-carboxamide

C15H23N3OS2 — CID 103423047

IUPAC3-amino-5-(cyclohexylamino)-4-methylsulfanyl-N-prop-2-enylthiophene-2-carboxamide
SMILESC=CCNC(=O)c1sc(NC2CCCCC2)c(SC)c1N
InChIInChI=1S/C15H23N3OS2/c1-3-9-17-14(19)12-11(16)13(20-2)15(21-12)18-10-7-5-4-6-8-10/h3,10,18H,1,4-9,16H2,2H3,(H,17,19)
InChIKeyZSTQIOQKOXRSLE-UHFFFAOYSA-N
MW325.50 g/mol
LogP3.71
Rot. Bonds6

About 3-amino-5-(cyclohexylamino)-4-methylsulfanyl-N-prop-2-enylthiophene-2-carboxamide

3-amino-5-(cyclohexylamino)-4-methylsulfanyl-N-prop-2-enylthiophene-2-carboxamide (PubChem CID 103423047) has the molecular formula C15H23N3OS2 and a molecular weight of 325.50 g/mol. Its IUPAC name is 3-amino-5-(cyclohexylamino)-4-methylsulfanyl-N-prop-2-enylthiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-5-(cyclohexylamino)-4-methylsulfanyl-N-prop-2-enylthiophene-2-carboxamide
PubChem CID103423047
Molecular FormulaC15H23N3OS2
Molecular Weight325.50 g/mol
Exact Mass325.13
IUPAC Name3-amino-5-(cyclohexylamino)-4-methylsulfanyl-N-prop-2-enylthiophene-2-carboxamide
SMILESC=CCNC(=O)c1sc(NC2CCCCC2)c(SC)c1N
InChIInChI=1S/C15H23N3OS2/c1-3-9-17-14(19)12-11(16)13(20-2)15(21-12)18-10-7-5-4-6-8-10/h3,10,18H,1,4-9,16H2,2H3,(H,17,19)
InChIKeyZSTQIOQKOXRSLE-UHFFFAOYSA-N
XLogP3.71
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.50
LogP ≤ 53.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(cyclohexylamino)-4-methylsulfanyl-N-prop-2-enylthiophene-2-carboxamide?
The IUPAC name of 3-amino-5-(cyclohexylamino)-4-methylsulfanyl-N-prop-2-enylthiophene-2-carboxamide (CID 103423047) is 3-amino-5-(cyclohexylamino)-4-methylsulfanyl-N-prop-2-enylthiophene-2-carboxamide.
What is the SMILES notation for 3-amino-5-(cyclohexylamino)-4-methylsulfanyl-N-prop-2-enylthiophene-2-carboxamide?
The canonical SMILES for 3-amino-5-(cyclohexylamino)-4-methylsulfanyl-N-prop-2-enylthiophene-2-carboxamide is C=CCNC(=O)c1sc(NC2CCCCC2)c(SC)c1N.
What is the InChIKey of 3-amino-5-(cyclohexylamino)-4-methylsulfanyl-N-prop-2-enylthiophene-2-carboxamide?
The InChIKey is ZSTQIOQKOXRSLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3OS2/c1-3-9-17-14(19)12-11(16)13(20-2)15(21-12)18-10-7-5-4-6-8-10/h3,10,18H,1,4-9,16H2,2H3,(H,17,19).
What are the key properties of 3-amino-5-(cyclohexylamino)-4-methylsulfanyl-N-prop-2-enylthiophene-2-carboxamide?
3-amino-5-(cyclohexylamino)-4-methylsulfanyl-N-prop-2-enylthiophene-2-carboxamide has a molecular weight of 325.50 g/mol, XLogP of 3.71, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(cyclohexylamino)-4-methylsulfanyl-N-prop-2-enylthiophene-2-carboxamide is sourced from PubChem (CID 103423047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).