3-amino-N-[3-(tert-butylamino)-3-oxopropyl]thiophene-2-carboxamide

C12H19N3O2S — CID 113409472

IUPAC3-amino-N-[3-(tert-butylamino)-3-oxopropyl]thiophene-2-carboxamide
SMILESCC(C)(C)NC(=O)CCNC(=O)c1sccc1N
InChIInChI=1S/C12H19N3O2S/c1-12(2,3)15-9(16)4-6-14-11(17)10-8(13)5-7-18-10/h5,7H,4,6,13H2,1-3H3,(H,14,17)(H,15,16)
InChIKeyOEPGAKBVZDEOEV-UHFFFAOYSA-N
MW269.37 g/mol
LogP1.36
Rot. Bonds4

About 3-amino-N-[3-(tert-butylamino)-3-oxopropyl]thiophene-2-carboxamide

3-amino-N-[3-(tert-butylamino)-3-oxopropyl]thiophene-2-carboxamide (PubChem CID 113409472) has the molecular formula C12H19N3O2S and a molecular weight of 269.37 g/mol. Its IUPAC name is 3-amino-N-[3-(tert-butylamino)-3-oxopropyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[3-(tert-butylamino)-3-oxopropyl]thiophene-2-carboxamide
PubChem CID113409472
Molecular FormulaC12H19N3O2S
Molecular Weight269.37 g/mol
Exact Mass269.12
IUPAC Name3-amino-N-[3-(tert-butylamino)-3-oxopropyl]thiophene-2-carboxamide
SMILESCC(C)(C)NC(=O)CCNC(=O)c1sccc1N
InChIInChI=1S/C12H19N3O2S/c1-12(2,3)15-9(16)4-6-14-11(17)10-8(13)5-7-18-10/h5,7H,4,6,13H2,1-3H3,(H,14,17)(H,15,16)
InChIKeyOEPGAKBVZDEOEV-UHFFFAOYSA-N
XLogP1.36
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 51.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-acetamidoethyl)-3-aminothiophene-2-carboxamide
CID 61092677
3-amino-N-(2,3,3-trimethylbutyl)thiophene-2-carboxamide
CID 83142073
3-amino-N-(2-methyl-2-phenylpropyl)thiophene-2-carboxamide
CID 61139791
3-amino-N-(5-methylhexyl)thiophene-2-carboxamide
CID 115324411
N-[3-(tert-butylamino)-3-oxopropyl]-4-fluorobenzamide
CID 47365751
3-amino-N-(2-thiophen-2-ylethyl)thiophene-2-carboxamide
CID 61090030
3-amino-N-(3-butoxypropyl)thiophene-2-carboxamide
CID 113480998
3-amino-N-[(2-methyl-1,3-thiazol-4-yl)methyl]thiophene-2-carboxamide
CID 61282056
methyl 3-[(3-aminothiophene-2-carbonyl)amino]-2-hydroxypropanoate
CID 107211618
3-amino-N-(2,2,3,3-tetrafluoropropyl)thiophene-2-carboxamide
CID 106289141
N-[2-(tert-butylamino)-2-oxoethyl]-3-(4-methylphenyl)thiophene-2-carboxamide
CID 51256105
N-[3-[(1-amino-2-methylpropan-2-yl)amino]-3-oxopropyl]thiophene-2-carboxamide
CID 119524372

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[3-(tert-butylamino)-3-oxopropyl]thiophene-2-carboxamide?
The IUPAC name of 3-amino-N-[3-(tert-butylamino)-3-oxopropyl]thiophene-2-carboxamide (CID 113409472) is 3-amino-N-[3-(tert-butylamino)-3-oxopropyl]thiophene-2-carboxamide.
What is the SMILES notation for 3-amino-N-[3-(tert-butylamino)-3-oxopropyl]thiophene-2-carboxamide?
The canonical SMILES for 3-amino-N-[3-(tert-butylamino)-3-oxopropyl]thiophene-2-carboxamide is CC(C)(C)NC(=O)CCNC(=O)c1sccc1N.
What is the InChIKey of 3-amino-N-[3-(tert-butylamino)-3-oxopropyl]thiophene-2-carboxamide?
The InChIKey is OEPGAKBVZDEOEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2S/c1-12(2,3)15-9(16)4-6-14-11(17)10-8(13)5-7-18-10/h5,7H,4,6,13H2,1-3H3,(H,14,17)(H,15,16).
What are the key properties of 3-amino-N-[3-(tert-butylamino)-3-oxopropyl]thiophene-2-carboxamide?
3-amino-N-[3-(tert-butylamino)-3-oxopropyl]thiophene-2-carboxamide has a molecular weight of 269.37 g/mol, XLogP of 1.36, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[3-(tert-butylamino)-3-oxopropyl]thiophene-2-carboxamide is sourced from PubChem (CID 113409472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).