N-(3-amino-3-oxopropyl)thiophene-2-carboxamide

C8H10N2O2S — CID 43236649

IUPACN-(3-amino-3-oxopropyl)thiophene-2-carboxamide
SMILESNC(=O)CCNC(=O)c1cccs1
InChIInChI=1S/C8H10N2O2S/c9-7(11)3-4-10-8(12)6-2-1-5-13-6/h1-2,5H,3-4H2,(H2,9,11)(H,10,12)
InChIKeyIXDLCUACXFMJIM-UHFFFAOYSA-N
MW198.25 g/mol
LogP0.35
Rot. Bonds4

About N-(3-amino-3-oxopropyl)thiophene-2-carboxamide

N-(3-amino-3-oxopropyl)thiophene-2-carboxamide (PubChem CID 43236649) has the molecular formula C8H10N2O2S and a molecular weight of 198.25 g/mol. Its IUPAC name is N-(3-amino-3-oxopropyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(3-amino-3-oxopropyl)thiophene-2-carboxamide
PubChem CID43236649
Molecular FormulaC8H10N2O2S
Molecular Weight198.25 g/mol
Exact Mass198.05
IUPAC NameN-(3-amino-3-oxopropyl)thiophene-2-carboxamide
SMILESNC(=O)CCNC(=O)c1cccs1
InChIInChI=1S/C8H10N2O2S/c9-7(11)3-4-10-8(12)6-2-1-5-13-6/h1-2,5H,3-4H2,(H2,9,11)(H,10,12)
InChIKeyIXDLCUACXFMJIM-UHFFFAOYSA-N
XLogP0.35
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.25
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(carbamoylamino)ethyl]thiophene-2-carboxamide
CID 115282462
N-(2-aminoethyl)thiophene-2-carboxamide
CID 4649097
N-(2-cyanoethyl)thiophene-2-carboxamide
CID 60656092
4-(thiophene-2-carbonylamino)butanoic acid
CID 3149370
methyl 4-(thiophene-2-carbonylamino)butanoate
CID 60645503
N-[3-[(1-amino-2-methylpropan-2-yl)amino]-3-oxopropyl]thiophene-2-carboxamide
CID 119524372
butyl 3-(thiophene-2-carbonylamino)propanoate
CID 91704806
N-[2-(ethylamino)ethyl]thiophene-2-carboxamide
CID 62657845
N-[2-(2-aminoethoxy)ethyl]thiophene-2-carboxamide
CID 82354226
N-[3-(2-methylpropoxyamino)-3-oxopropyl]thiophene-2-carboxamide
CID 115410037
N-[3-(4-acetamidoanilino)-3-oxopropyl]thiophene-2-carboxamide
CID 27648785
N-[3-(2-bromoprop-2-enylamino)-3-oxopropyl]thiophene-2-carboxamide
CID 47439395

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-oxopropyl)thiophene-2-carboxamide?
The IUPAC name of N-(3-amino-3-oxopropyl)thiophene-2-carboxamide (CID 43236649) is N-(3-amino-3-oxopropyl)thiophene-2-carboxamide.
What is the SMILES notation for N-(3-amino-3-oxopropyl)thiophene-2-carboxamide?
The canonical SMILES for N-(3-amino-3-oxopropyl)thiophene-2-carboxamide is NC(=O)CCNC(=O)c1cccs1.
What is the InChIKey of N-(3-amino-3-oxopropyl)thiophene-2-carboxamide?
The InChIKey is IXDLCUACXFMJIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2S/c9-7(11)3-4-10-8(12)6-2-1-5-13-6/h1-2,5H,3-4H2,(H2,9,11)(H,10,12).
What are the key properties of N-(3-amino-3-oxopropyl)thiophene-2-carboxamide?
N-(3-amino-3-oxopropyl)thiophene-2-carboxamide has a molecular weight of 198.25 g/mol, XLogP of 0.35, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-3-oxopropyl)thiophene-2-carboxamide is sourced from PubChem (CID 43236649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).