7-amino-2-formamido-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide

C11H15N3O2S — CID 139457899

IUPAC7-amino-2-formamido-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide
SMILESNC(=O)c1c(NC=O)sc2c1CCCC(N)C2
InChIInChI=1S/C11H15N3O2S/c12-6-2-1-3-7-8(4-6)17-11(14-5-15)9(7)10(13)16/h5-6H,1-4,12H2,(H2,13,16)(H,14,15)
InChIKeyXDNUXXQJWVAQSK-UHFFFAOYSA-N
MW253.33 g/mol
LogP0.62
Rot. Bonds3

About 7-amino-2-formamido-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide

7-amino-2-formamido-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide (PubChem CID 139457899) has the molecular formula C11H15N3O2S and a molecular weight of 253.33 g/mol. Its IUPAC name is 7-amino-2-formamido-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide.

Molecular Properties

Compound Name7-amino-2-formamido-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide
PubChem CID139457899
Molecular FormulaC11H15N3O2S
Molecular Weight253.33 g/mol
Exact Mass253.09
IUPAC Name7-amino-2-formamido-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide
SMILESNC(=O)c1c(NC=O)sc2c1CCCC(N)C2
InChIInChI=1S/C11H15N3O2S/c12-6-2-1-3-7-8(4-6)17-11(14-5-15)9(7)10(13)16/h5-6H,1-4,12H2,(H2,13,16)(H,14,15)
InChIKeyXDNUXXQJWVAQSK-UHFFFAOYSA-N
XLogP0.62
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.33
LogP ≤ 50.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

6-(cyclopropylmethyl)-2-formamido-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-ium-3-carboxamide
CID 144599925
6-ethyl-2-formamido-4,5,7,8-tetrahydrothieno[2,3-d]azepine-3-carboxamide
CID 129172315
6-ethyl-2-formamido-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;methanamine
CID 144599906
2-(cyclopropanecarbonylamino)-6-hydroxy-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 59014280
2-acetamido-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 2850359
2-(3-cyclopentylpropanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 903693
N,N'-bis(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pentanediamide
CID 4123677
2-[(2-cyclopentylacetyl)carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 54786366
2-(cyclohexylcarbamoylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide
CID 4684992
2-[[2-[(3R)-1,1-dioxothiolan-3-yl]acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 7222808
(E)-4-[[(6R)-3-carbamoyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-4-oxobut-2-enoic acid
CID 896195
(6S)-2-(2,2-dimethylpropanoylamino)-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 40585115

Frequently Asked Questions

What is the IUPAC name of 7-amino-2-formamido-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide?
The IUPAC name of 7-amino-2-formamido-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide (CID 139457899) is 7-amino-2-formamido-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide.
What is the SMILES notation for 7-amino-2-formamido-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide?
The canonical SMILES for 7-amino-2-formamido-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide is NC(=O)c1c(NC=O)sc2c1CCCC(N)C2.
What is the InChIKey of 7-amino-2-formamido-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide?
The InChIKey is XDNUXXQJWVAQSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2S/c12-6-2-1-3-7-8(4-6)17-11(14-5-15)9(7)10(13)16/h5-6H,1-4,12H2,(H2,13,16)(H,14,15).
What are the key properties of 7-amino-2-formamido-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide?
7-amino-2-formamido-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide has a molecular weight of 253.33 g/mol, XLogP of 0.62, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-2-formamido-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide is sourced from PubChem (CID 139457899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).