N-(3-aminobutyl)-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide

C12H18N2O2S — CID 119498408

IUPACN-(3-aminobutyl)-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide
SMILESCC(N)CCNC(=O)c1cc2c(s1)CCOC2
InChIInChI=1S/C12H18N2O2S/c1-8(13)2-4-14-12(15)11-6-9-7-16-5-3-10(9)17-11/h6,8H,2-5,7,13H2,1H3,(H,14,15)
InChIKeyKJAAGNFJUOZURL-UHFFFAOYSA-N
MW254.35 g/mol
LogP1.29
Rot. Bonds4

About N-(3-aminobutyl)-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide

N-(3-aminobutyl)-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide (PubChem CID 119498408) has the molecular formula C12H18N2O2S and a molecular weight of 254.35 g/mol. Its IUPAC name is N-(3-aminobutyl)-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide.

Molecular Properties

Compound NameN-(3-aminobutyl)-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide
PubChem CID119498408
Molecular FormulaC12H18N2O2S
Molecular Weight254.35 g/mol
Exact Mass254.11
IUPAC NameN-(3-aminobutyl)-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide
SMILESCC(N)CCNC(=O)c1cc2c(s1)CCOC2
InChIInChI=1S/C12H18N2O2S/c1-8(13)2-4-14-12(15)11-6-9-7-16-5-3-10(9)17-11/h6,8H,2-5,7,13H2,1H3,(H,14,15)
InChIKeyKJAAGNFJUOZURL-UHFFFAOYSA-N
XLogP1.29
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-aminobutyl)-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide;hydrochloride
CID 119498407
N-(3-aminobutyl)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 119495611
N-[(2S)-1-aminopropan-2-yl]-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide;hydrochloride
CID 120508772
N-(3-ethyl-2-hydroxypentyl)-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide
CID 111115819
N-(1-amino-2,3-dimethylbutan-2-yl)-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide
CID 119608083
N-[[2-(hydroxymethyl)phenyl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide
CID 110932711
N-(3-piperazin-1-ylpropyl)-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide
CID 119393555
N-(1-amino-2-methylpropan-2-yl)-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide;hydrochloride
CID 119524124
N-(3-aminobutyl)-4,5-dimethylthiophene-2-carboxamide
CID 65239032
4-(4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carbonylamino)-2-methylbutanoic acid
CID 80537337
N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide
CID 111478893
2-[2-(6,7-dihydro-4H-thieno[3,2-c]pyran-2-carbonylamino)phenyl]acetic acid
CID 119353158

Frequently Asked Questions

What is the IUPAC name of N-(3-aminobutyl)-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide?
The IUPAC name of N-(3-aminobutyl)-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide (CID 119498408) is N-(3-aminobutyl)-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide.
What is the SMILES notation for N-(3-aminobutyl)-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide?
The canonical SMILES for N-(3-aminobutyl)-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide is CC(N)CCNC(=O)c1cc2c(s1)CCOC2.
What is the InChIKey of N-(3-aminobutyl)-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide?
The InChIKey is KJAAGNFJUOZURL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2S/c1-8(13)2-4-14-12(15)11-6-9-7-16-5-3-10(9)17-11/h6,8H,2-5,7,13H2,1H3,(H,14,15).
What are the key properties of N-(3-aminobutyl)-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide?
N-(3-aminobutyl)-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide has a molecular weight of 254.35 g/mol, XLogP of 1.29, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminobutyl)-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide is sourced from PubChem (CID 119498408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).