3-amino-N-cyclopropyl-5-(4-methylazepan-1-yl)thiophene-2-carboxamide

C15H23N3OS — CID 103422093

IUPAC3-amino-N-cyclopropyl-5-(4-methylazepan-1-yl)thiophene-2-carboxamide
SMILESCC1CCCN(c2cc(N)c(C(=O)NC3CC3)s2)CC1
InChIInChI=1S/C15H23N3OS/c1-10-3-2-7-18(8-6-10)13-9-12(16)14(20-13)15(19)17-11-4-5-11/h9-11H,2-8,16H2,1H3,(H,17,19)
InChIKeyLVOWPANWJDUMAQ-UHFFFAOYSA-N
MW293.44 g/mol
LogP2.85
Rot. Bonds3

About 3-amino-N-cyclopropyl-5-(4-methylazepan-1-yl)thiophene-2-carboxamide

3-amino-N-cyclopropyl-5-(4-methylazepan-1-yl)thiophene-2-carboxamide (PubChem CID 103422093) has the molecular formula C15H23N3OS and a molecular weight of 293.44 g/mol. Its IUPAC name is 3-amino-N-cyclopropyl-5-(4-methylazepan-1-yl)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-cyclopropyl-5-(4-methylazepan-1-yl)thiophene-2-carboxamide
PubChem CID103422093
Molecular FormulaC15H23N3OS
Molecular Weight293.44 g/mol
Exact Mass293.16
IUPAC Name3-amino-N-cyclopropyl-5-(4-methylazepan-1-yl)thiophene-2-carboxamide
SMILESCC1CCCN(c2cc(N)c(C(=O)NC3CC3)s2)CC1
InChIInChI=1S/C15H23N3OS/c1-10-3-2-7-18(8-6-10)13-9-12(16)14(20-13)15(19)17-11-4-5-11/h9-11H,2-8,16H2,1H3,(H,17,19)
InChIKeyLVOWPANWJDUMAQ-UHFFFAOYSA-N
XLogP2.85
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.44
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-cyclopropyl-5-pyrrolidin-1-ylthiophene-2-carboxamide
CID 103418986
3-amino-5-(4-methylazepan-1-yl)-N-propylthiophene-2-carboxamide
CID 103422043
1-[3-amino-5-(4-propan-2-ylazepan-1-yl)thiophen-2-yl]ethanone
CID 103422612
3-amino-N,N-dimethyl-5-(3-methylpyrrolidin-1-yl)thiophene-2-carboxamide
CID 103509765
3-amino-N-cyclopropyl-5-(methylamino)thiophene-2-carboxamide
CID 103424255
1-(3-amino-5-piperidin-1-ylthiophen-2-yl)ethanone
CID 103419795
3-amino-N-methyl-5-[3-(trifluoromethyl)piperidin-1-yl]thiophene-2-carboxamide
CID 103422884
3-amino-N-cyclopropyl-5-[(1-methylpiperidin-4-yl)amino]thiophene-2-carboxamide
CID 103427442
3-amino-N-methyl-5-morpholin-4-ylthiophene-2-carboxamide
CID 103419126
methyl 3-amino-5-(4-methoxypiperidin-1-yl)thiophene-2-carboxylate
CID 103508852
3-amino-N-ethyl-5-(1,4-oxazepan-4-yl)thiophene-2-carboxamide
CID 103421831
3-amino-5-(1,4-diazepan-1-yl)-N-ethylthiophene-2-carboxamide
CID 103524899

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-cyclopropyl-5-(4-methylazepan-1-yl)thiophene-2-carboxamide?
The IUPAC name of 3-amino-N-cyclopropyl-5-(4-methylazepan-1-yl)thiophene-2-carboxamide (CID 103422093) is 3-amino-N-cyclopropyl-5-(4-methylazepan-1-yl)thiophene-2-carboxamide.
What is the SMILES notation for 3-amino-N-cyclopropyl-5-(4-methylazepan-1-yl)thiophene-2-carboxamide?
The canonical SMILES for 3-amino-N-cyclopropyl-5-(4-methylazepan-1-yl)thiophene-2-carboxamide is CC1CCCN(c2cc(N)c(C(=O)NC3CC3)s2)CC1.
What is the InChIKey of 3-amino-N-cyclopropyl-5-(4-methylazepan-1-yl)thiophene-2-carboxamide?
The InChIKey is LVOWPANWJDUMAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3OS/c1-10-3-2-7-18(8-6-10)13-9-12(16)14(20-13)15(19)17-11-4-5-11/h9-11H,2-8,16H2,1H3,(H,17,19).
What are the key properties of 3-amino-N-cyclopropyl-5-(4-methylazepan-1-yl)thiophene-2-carboxamide?
3-amino-N-cyclopropyl-5-(4-methylazepan-1-yl)thiophene-2-carboxamide has a molecular weight of 293.44 g/mol, XLogP of 2.85, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-cyclopropyl-5-(4-methylazepan-1-yl)thiophene-2-carboxamide is sourced from PubChem (CID 103422093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).