3-amino-N-methyl-5-(pentan-3-ylamino)thiophene-2-carboxamide

C11H19N3OS — CID 103424129

IUPAC3-amino-N-methyl-5-(pentan-3-ylamino)thiophene-2-carboxamide
SMILESCCC(CC)Nc1cc(N)c(C(=O)NC)s1
InChIInChI=1S/C11H19N3OS/c1-4-7(5-2)14-9-6-8(12)10(16-9)11(15)13-3/h6-7,14H,4-5,12H2,1-3H3,(H,13,15)
InChIKeyYPSLBNVDSOJKAU-UHFFFAOYSA-N
MW241.36 g/mol
LogP2.29
Rot. Bonds5

About 3-amino-N-methyl-5-(pentan-3-ylamino)thiophene-2-carboxamide

3-amino-N-methyl-5-(pentan-3-ylamino)thiophene-2-carboxamide (PubChem CID 103424129) has the molecular formula C11H19N3OS and a molecular weight of 241.36 g/mol. Its IUPAC name is 3-amino-N-methyl-5-(pentan-3-ylamino)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-methyl-5-(pentan-3-ylamino)thiophene-2-carboxamide
PubChem CID103424129
Molecular FormulaC11H19N3OS
Molecular Weight241.36 g/mol
Exact Mass241.12
IUPAC Name3-amino-N-methyl-5-(pentan-3-ylamino)thiophene-2-carboxamide
SMILESCCC(CC)Nc1cc(N)c(C(=O)NC)s1
InChIInChI=1S/C11H19N3OS/c1-4-7(5-2)14-9-6-8(12)10(16-9)11(15)13-3/h6-7,14H,4-5,12H2,1-3H3,(H,13,15)
InChIKeyYPSLBNVDSOJKAU-UHFFFAOYSA-N
XLogP2.29
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 52.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-5-(pentan-3-ylamino)thiophene-2-carboxamide
CID 103424063
3-amino-5-(pentan-3-ylamino)-N-prop-2-enylthiophene-2-carboxamide
CID 103424021
ethyl 3-amino-5-(pentan-3-ylamino)thiophene-2-carboxylate
CID 103424115
3-amino-5-(1-methoxybutan-2-ylamino)thiophene-2-carboxamide
CID 103508211
3-amino-N-methyl-5-(1-pyrrolidin-1-ylpropan-2-ylamino)thiophene-2-carboxamide
CID 103508490
3-amino-N-methyl-5-[(3-methylphenyl)methylamino]thiophene-2-carboxamide
CID 103432151
1-[3-amino-5-(2-methylpentan-3-ylamino)thiophen-2-yl]ethanone
CID 103508445
3-amino-N-methyl-5-(4,4,4-trifluorobutylamino)thiophene-2-carboxamide
CID 103505964
3-amino-5-[2-(5-bromothiophen-2-yl)ethylamino]-N-methylthiophene-2-carboxamide
CID 106045453
3-amino-N-methyl-5-[3-(5-methyl-1H-pyrazol-4-yl)propylamino]thiophene-2-carboxamide
CID 103509920
3-amino-N-methyl-5-[(1-methylpyrazol-4-yl)methylamino]thiophene-2-carboxamide
CID 103507791
methyl 3-amino-4-(methylcarbamoyl)-5-(pentan-3-ylamino)thiophene-2-carboxylate
CID 103424038

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-methyl-5-(pentan-3-ylamino)thiophene-2-carboxamide?
The IUPAC name of 3-amino-N-methyl-5-(pentan-3-ylamino)thiophene-2-carboxamide (CID 103424129) is 3-amino-N-methyl-5-(pentan-3-ylamino)thiophene-2-carboxamide.
What is the SMILES notation for 3-amino-N-methyl-5-(pentan-3-ylamino)thiophene-2-carboxamide?
The canonical SMILES for 3-amino-N-methyl-5-(pentan-3-ylamino)thiophene-2-carboxamide is CCC(CC)Nc1cc(N)c(C(=O)NC)s1.
What is the InChIKey of 3-amino-N-methyl-5-(pentan-3-ylamino)thiophene-2-carboxamide?
The InChIKey is YPSLBNVDSOJKAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3OS/c1-4-7(5-2)14-9-6-8(12)10(16-9)11(15)13-3/h6-7,14H,4-5,12H2,1-3H3,(H,13,15).
What are the key properties of 3-amino-N-methyl-5-(pentan-3-ylamino)thiophene-2-carboxamide?
3-amino-N-methyl-5-(pentan-3-ylamino)thiophene-2-carboxamide has a molecular weight of 241.36 g/mol, XLogP of 2.29, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-methyl-5-(pentan-3-ylamino)thiophene-2-carboxamide is sourced from PubChem (CID 103424129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).