3-amino-5-[cyclohexylmethyl(methyl)amino]-4-cyclopropylthiophene-2-carboxamide

C16H25N3OS — CID 103417931

IUPAC3-amino-5-[cyclohexylmethyl(methyl)amino]-4-cyclopropylthiophene-2-carboxamide
SMILESCN(CC1CCCCC1)c1sc(C(N)=O)c(N)c1C1CC1
InChIInChI=1S/C16H25N3OS/c1-19(9-10-5-3-2-4-6-10)16-12(11-7-8-11)13(17)14(21-16)15(18)20/h10-11H,2-9,17H2,1H3,(H2,18,20)
InChIKeyLOOJBZFNMFMMTN-UHFFFAOYSA-N
MW307.46 g/mol
LogP3.32
Rot. Bonds5

About 3-amino-5-[cyclohexylmethyl(methyl)amino]-4-cyclopropylthiophene-2-carboxamide

3-amino-5-[cyclohexylmethyl(methyl)amino]-4-cyclopropylthiophene-2-carboxamide (PubChem CID 103417931) has the molecular formula C16H25N3OS and a molecular weight of 307.46 g/mol. Its IUPAC name is 3-amino-5-[cyclohexylmethyl(methyl)amino]-4-cyclopropylthiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-5-[cyclohexylmethyl(methyl)amino]-4-cyclopropylthiophene-2-carboxamide
PubChem CID103417931
Molecular FormulaC16H25N3OS
Molecular Weight307.46 g/mol
Exact Mass307.17
IUPAC Name3-amino-5-[cyclohexylmethyl(methyl)amino]-4-cyclopropylthiophene-2-carboxamide
SMILESCN(CC1CCCCC1)c1sc(C(N)=O)c(N)c1C1CC1
InChIInChI=1S/C16H25N3OS/c1-19(9-10-5-3-2-4-6-10)16-12(11-7-8-11)13(17)14(21-16)15(18)20/h10-11H,2-9,17H2,1H3,(H2,18,20)
InChIKeyLOOJBZFNMFMMTN-UHFFFAOYSA-N
XLogP3.32
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.46
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-amino-5-[cyclohexylmethyl(methyl)amino]-4-cyclopropylthiophen-2-yl]ethanone
CID 103417945
3-amino-5-[cyclobutylmethyl(methyl)amino]-4-cyclopropyl-N,N-dimethylthiophene-2-carboxamide
CID 103421451
3-amino-5-[cyclopentylmethyl(methyl)amino]-4-methylsulfanylthiophene-2-carboxamide
CID 103422116
3-amino-4-cyclopropyl-5-[cyclopropylmethyl(ethyl)amino]thiophene-2-carboxamide
CID 103422409
3-amino-5-[cyclobutylmethyl(methyl)amino]-4-methoxythiophene-2-carboxamide
CID 103421492
ethyl 4-amino-5-carbamoyl-2-[cyclopropylmethyl(methyl)amino]thiophene-3-carboxylate
CID 103509521
3-amino-4-cyclopropyl-5-[methyl(pyridin-2-ylmethyl)amino]thiophene-2-carboxamide
CID 103509018
4-amino-2-[cyclobutylmethyl(methyl)amino]-5-(2-methylpropanoyl)thiophene-3-carboxamide
CID 103421487
1-[3-amino-4-cyclopropyl-5-[ethyl(methyl)amino]thiophen-2-yl]-2-methylpropan-1-one
CID 103420898
1-[3-amino-5-[cyclopentylmethyl(methyl)amino]-4-methoxythiophen-2-yl]ethanone
CID 103422154
3-amino-4-cyclopropyl-5-[ethyl(methyl)amino]-N-methylthiophene-2-carboxamide
CID 103420939
[3-amino-4-cyclopropyl-5-[cyclopropylmethyl(ethyl)amino]thiophen-2-yl]-cyclopropylmethanone
CID 103422444

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-[cyclohexylmethyl(methyl)amino]-4-cyclopropylthiophene-2-carboxamide?
The IUPAC name of 3-amino-5-[cyclohexylmethyl(methyl)amino]-4-cyclopropylthiophene-2-carboxamide (CID 103417931) is 3-amino-5-[cyclohexylmethyl(methyl)amino]-4-cyclopropylthiophene-2-carboxamide.
What is the SMILES notation for 3-amino-5-[cyclohexylmethyl(methyl)amino]-4-cyclopropylthiophene-2-carboxamide?
The canonical SMILES for 3-amino-5-[cyclohexylmethyl(methyl)amino]-4-cyclopropylthiophene-2-carboxamide is CN(CC1CCCCC1)c1sc(C(N)=O)c(N)c1C1CC1.
What is the InChIKey of 3-amino-5-[cyclohexylmethyl(methyl)amino]-4-cyclopropylthiophene-2-carboxamide?
The InChIKey is LOOJBZFNMFMMTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3OS/c1-19(9-10-5-3-2-4-6-10)16-12(11-7-8-11)13(17)14(21-16)15(18)20/h10-11H,2-9,17H2,1H3,(H2,18,20).
What are the key properties of 3-amino-5-[cyclohexylmethyl(methyl)amino]-4-cyclopropylthiophene-2-carboxamide?
3-amino-5-[cyclohexylmethyl(methyl)amino]-4-cyclopropylthiophene-2-carboxamide has a molecular weight of 307.46 g/mol, XLogP of 3.32, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-[cyclohexylmethyl(methyl)amino]-4-cyclopropylthiophene-2-carboxamide is sourced from PubChem (CID 103417931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).