3-amino-4-cyclopropyl-N-methyl-5-[(3-methylcyclopentyl)methylamino]thiophene-2-carboxamide

C16H25N3OS — CID 107416244

IUPAC3-amino-4-cyclopropyl-N-methyl-5-[(3-methylcyclopentyl)methylamino]thiophene-2-carboxamide
SMILESCNC(=O)c1sc(NCC2CCC(C)C2)c(C2CC2)c1N
InChIInChI=1S/C16H25N3OS/c1-9-3-4-10(7-9)8-19-16-12(11-5-6-11)13(17)14(21-16)15(20)18-2/h9-11,19H,3-8,17H2,1-2H3,(H,18,20)
InChIKeyLWQIXGPCHHEVAF-UHFFFAOYSA-N
MW307.46 g/mol
LogP3.42
Rot. Bonds5

About 3-amino-4-cyclopropyl-N-methyl-5-[(3-methylcyclopentyl)methylamino]thiophene-2-carboxamide

3-amino-4-cyclopropyl-N-methyl-5-[(3-methylcyclopentyl)methylamino]thiophene-2-carboxamide (PubChem CID 107416244) has the molecular formula C16H25N3OS and a molecular weight of 307.46 g/mol. Its IUPAC name is 3-amino-4-cyclopropyl-N-methyl-5-[(3-methylcyclopentyl)methylamino]thiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-4-cyclopropyl-N-methyl-5-[(3-methylcyclopentyl)methylamino]thiophene-2-carboxamide
PubChem CID107416244
Molecular FormulaC16H25N3OS
Molecular Weight307.46 g/mol
Exact Mass307.17
IUPAC Name3-amino-4-cyclopropyl-N-methyl-5-[(3-methylcyclopentyl)methylamino]thiophene-2-carboxamide
SMILESCNC(=O)c1sc(NCC2CCC(C)C2)c(C2CC2)c1N
InChIInChI=1S/C16H25N3OS/c1-9-3-4-10(7-9)8-19-16-12(11-5-6-11)13(17)14(21-16)15(20)18-2/h9-11,19H,3-8,17H2,1-2H3,(H,18,20)
InChIKeyLWQIXGPCHHEVAF-UHFFFAOYSA-N
XLogP3.42
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.46
LogP ≤ 53.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N,4-dicyclopropyl-5-(cyclopropylmethylamino)thiophene-2-carboxamide
CID 103424679
3-amino-4-cyclopropyl-N-methyl-5-(2-propan-2-yloxyethylamino)thiophene-2-carboxamide
CID 103506429
3-amino-4-cyclopropyl-N-methyl-5-(4,4,4-trifluorobutylamino)thiophene-2-carboxamide
CID 103505983
3-amino-4-cyano-5-[(3-methylcyclopentyl)methylamino]thiophene-2-carboxamide
CID 107416225
3-amino-5-[(3-methylcyclopentyl)methylamino]-4-methylsulfonylthiophene-2-carboxamide
CID 107416234
3-amino-4-cyclopropyl-N-ethyl-5-(propylamino)thiophene-2-carboxamide
CID 103423180
1-[3-amino-4-methoxy-5-[(3-methylcyclopentyl)methylamino]thiophen-2-yl]-2-methylpropan-1-one
CID 107416246
ethyl 3-amino-4-cyano-5-[(3-methylcyclopentyl)methylamino]thiophene-2-carboxylate
CID 107416210
3-amino-4-cyclopropyl-5-[ethyl(methyl)amino]-N-methylthiophene-2-carboxamide
CID 103420939
3-amino-N,4-dicyclopropyl-5-(2-methylpropylamino)thiophene-2-carboxamide
CID 103423879
3-amino-4-cyclopropyl-5-(prop-2-enylamino)-N-propylthiophene-2-carboxamide
CID 103510047
3-amino-N,4-dicyclopropyl-5-(2-methylprop-2-enylamino)thiophene-2-carboxamide
CID 103507326

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-cyclopropyl-N-methyl-5-[(3-methylcyclopentyl)methylamino]thiophene-2-carboxamide?
The IUPAC name of 3-amino-4-cyclopropyl-N-methyl-5-[(3-methylcyclopentyl)methylamino]thiophene-2-carboxamide (CID 107416244) is 3-amino-4-cyclopropyl-N-methyl-5-[(3-methylcyclopentyl)methylamino]thiophene-2-carboxamide.
What is the SMILES notation for 3-amino-4-cyclopropyl-N-methyl-5-[(3-methylcyclopentyl)methylamino]thiophene-2-carboxamide?
The canonical SMILES for 3-amino-4-cyclopropyl-N-methyl-5-[(3-methylcyclopentyl)methylamino]thiophene-2-carboxamide is CNC(=O)c1sc(NCC2CCC(C)C2)c(C2CC2)c1N.
What is the InChIKey of 3-amino-4-cyclopropyl-N-methyl-5-[(3-methylcyclopentyl)methylamino]thiophene-2-carboxamide?
The InChIKey is LWQIXGPCHHEVAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3OS/c1-9-3-4-10(7-9)8-19-16-12(11-5-6-11)13(17)14(21-16)15(20)18-2/h9-11,19H,3-8,17H2,1-2H3,(H,18,20).
What are the key properties of 3-amino-4-cyclopropyl-N-methyl-5-[(3-methylcyclopentyl)methylamino]thiophene-2-carboxamide?
3-amino-4-cyclopropyl-N-methyl-5-[(3-methylcyclopentyl)methylamino]thiophene-2-carboxamide has a molecular weight of 307.46 g/mol, XLogP of 3.42, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-cyclopropyl-N-methyl-5-[(3-methylcyclopentyl)methylamino]thiophene-2-carboxamide is sourced from PubChem (CID 107416244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).