N-[3-[(1-amino-2-methylpropan-2-yl)amino]-3-oxopropyl]thiophene-2-carboxamide

C12H19N3O2S — CID 119524372

IUPACN-[3-[(1-amino-2-methylpropan-2-yl)amino]-3-oxopropyl]thiophene-2-carboxamide
SMILESCC(C)(CN)NC(=O)CCNC(=O)c1cccs1
InChIInChI=1S/C12H19N3O2S/c1-12(2,8-13)15-10(16)5-6-14-11(17)9-4-3-7-18-9/h3-4,7H,5-6,8,13H2,1-2H3,(H,14,17)(H,15,16)
InChIKeyRVJBHKRZUOFUTI-UHFFFAOYSA-N
MW269.37 g/mol
LogP0.72
Rot. Bonds6

About N-[3-[(1-amino-2-methylpropan-2-yl)amino]-3-oxopropyl]thiophene-2-carboxamide

N-[3-[(1-amino-2-methylpropan-2-yl)amino]-3-oxopropyl]thiophene-2-carboxamide (PubChem CID 119524372) has the molecular formula C12H19N3O2S and a molecular weight of 269.37 g/mol. Its IUPAC name is N-[3-[(1-amino-2-methylpropan-2-yl)amino]-3-oxopropyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-[(1-amino-2-methylpropan-2-yl)amino]-3-oxopropyl]thiophene-2-carboxamide
PubChem CID119524372
Molecular FormulaC12H19N3O2S
Molecular Weight269.37 g/mol
Exact Mass269.12
IUPAC NameN-[3-[(1-amino-2-methylpropan-2-yl)amino]-3-oxopropyl]thiophene-2-carboxamide
SMILESCC(C)(CN)NC(=O)CCNC(=O)c1cccs1
InChIInChI=1S/C12H19N3O2S/c1-12(2,8-13)15-10(16)5-6-14-11(17)9-4-3-7-18-9/h3-4,7H,5-6,8,13H2,1-2H3,(H,14,17)(H,15,16)
InChIKeyRVJBHKRZUOFUTI-UHFFFAOYSA-N
XLogP0.72
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 50.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-amino-3-oxopropyl)thiophene-2-carboxamide
CID 43236649
N-(2-aminoethyl)thiophene-2-carboxamide
CID 4649097
N-[1-[(1-amino-2-methylpropan-2-yl)amino]-1-oxopropan-2-yl]thiophene-2-carboxamide;hydrochloride
CID 119521422
N-[3-(4-acetamidoanilino)-3-oxopropyl]thiophene-2-carboxamide
CID 27648785
N-[3-(3-methylbutan-2-ylamino)-3-oxopropyl]thiophene-2-carboxamide
CID 43043080
N-[3-(2-methylpropoxyamino)-3-oxopropyl]thiophene-2-carboxamide
CID 115410037
N-[3-(3-acetylanilino)-3-oxopropyl]thiophene-2-carboxamide
CID 17497033
N-[2-(carbamoylamino)ethyl]thiophene-2-carboxamide
CID 115282462
N-[3-(2-bromoprop-2-enylamino)-3-oxopropyl]thiophene-2-carboxamide
CID 47439395
4,4-dimethyl-6-(thiophene-2-carbonylamino)hexanoic acid
CID 65284024
N-[3-[(4-hydroxy-3-methylbutan-2-yl)amino]-3-oxopropyl]thiophene-2-carboxamide
CID 115770942
N-[3-[[2-(aminomethyl)cyclohexyl]amino]-3-oxopropyl]thiophene-2-carboxamide;hydrochloride
CID 119611841

Frequently Asked Questions

What is the IUPAC name of N-[3-[(1-amino-2-methylpropan-2-yl)amino]-3-oxopropyl]thiophene-2-carboxamide?
The IUPAC name of N-[3-[(1-amino-2-methylpropan-2-yl)amino]-3-oxopropyl]thiophene-2-carboxamide (CID 119524372) is N-[3-[(1-amino-2-methylpropan-2-yl)amino]-3-oxopropyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[3-[(1-amino-2-methylpropan-2-yl)amino]-3-oxopropyl]thiophene-2-carboxamide?
The canonical SMILES for N-[3-[(1-amino-2-methylpropan-2-yl)amino]-3-oxopropyl]thiophene-2-carboxamide is CC(C)(CN)NC(=O)CCNC(=O)c1cccs1.
What is the InChIKey of N-[3-[(1-amino-2-methylpropan-2-yl)amino]-3-oxopropyl]thiophene-2-carboxamide?
The InChIKey is RVJBHKRZUOFUTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2S/c1-12(2,8-13)15-10(16)5-6-14-11(17)9-4-3-7-18-9/h3-4,7H,5-6,8,13H2,1-2H3,(H,14,17)(H,15,16).
What are the key properties of N-[3-[(1-amino-2-methylpropan-2-yl)amino]-3-oxopropyl]thiophene-2-carboxamide?
N-[3-[(1-amino-2-methylpropan-2-yl)amino]-3-oxopropyl]thiophene-2-carboxamide has a molecular weight of 269.37 g/mol, XLogP of 0.72, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(1-amino-2-methylpropan-2-yl)amino]-3-oxopropyl]thiophene-2-carboxamide is sourced from PubChem (CID 119524372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).