(3-aminothiophen-2-yl)-(3,6-dihydro-2H-pyridin-1-yl)methanone

C10H12N2OS — CID 114407063

IUPAC(3-aminothiophen-2-yl)-(3,6-dihydro-2H-pyridin-1-yl)methanone
SMILESNc1ccsc1C(=O)N1CC=CCC1
InChIInChI=1S/C10H12N2OS/c11-8-4-7-14-9(8)10(13)12-5-2-1-3-6-12/h1-2,4,7H,3,5-6,11H2
InChIKeyNBHUWFSKSPJESU-UHFFFAOYSA-N
MW208.29 g/mol
LogP1.73
Rot. Bonds1

About (3-aminothiophen-2-yl)-(3,6-dihydro-2H-pyridin-1-yl)methanone

(3-aminothiophen-2-yl)-(3,6-dihydro-2H-pyridin-1-yl)methanone (PubChem CID 114407063) has the molecular formula C10H12N2OS and a molecular weight of 208.29 g/mol. Its IUPAC name is (3-aminothiophen-2-yl)-(3,6-dihydro-2H-pyridin-1-yl)methanone.

Molecular Properties

Compound Name(3-aminothiophen-2-yl)-(3,6-dihydro-2H-pyridin-1-yl)methanone
PubChem CID114407063
Molecular FormulaC10H12N2OS
Molecular Weight208.29 g/mol
Exact Mass208.07
IUPAC Name(3-aminothiophen-2-yl)-(3,6-dihydro-2H-pyridin-1-yl)methanone
SMILESNc1ccsc1C(=O)N1CC=CCC1
InChIInChI=1S/C10H12N2OS/c11-8-4-7-14-9(8)10(13)12-5-2-1-3-6-12/h1-2,4,7H,3,5-6,11H2
InChIKeyNBHUWFSKSPJESU-UHFFFAOYSA-N
XLogP1.73
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.29
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3-bromothiophen-2-yl)-(3,6-dihydro-2H-pyridin-1-yl)methanone
CID 115970006
4-(3-aminothiophene-2-carbonyl)piperazine-1-sulfonamide
CID 61140085
(3-aminothiophen-2-yl)-(4-methylpiperidin-1-yl)methanone
CID 61091260
(3-aminothiophen-2-yl)-[3-(dimethylamino)pyrrolidin-1-yl]methanone
CID 63166059
(3-aminothiophen-2-yl)-(8-azaspiro[4.5]decan-8-yl)methanone
CID 63157037
4-(3-aminothiophene-2-carbonyl)piperazin-2-one
CID 61090174
(3-aminothiophen-2-yl)-[4-[(dimethylamino)methyl]piperidin-1-yl]methanone
CID 61115182
4-(3-aminothiophene-2-carbonyl)-N,N-diethylpiperazine-1-carboxamide
CID 61109752
(3-bromothiophen-2-yl)-(2,5-dihydropyrrol-1-yl)methanone
CID 130616054
(3-aminothiophen-2-yl)-(3-ethyl-4-methylpiperazin-1-yl)methanone
CID 63604493
N-[1-(3-aminothiophene-2-carbonyl)piperidin-4-yl]methanesulfonamide
CID 61105540
(2-amino-1,3-thiazol-4-yl)-(3,6-dihydro-2H-pyridin-1-yl)methanone
CID 114408809

Frequently Asked Questions

What is the IUPAC name of (3-aminothiophen-2-yl)-(3,6-dihydro-2H-pyridin-1-yl)methanone?
The IUPAC name of (3-aminothiophen-2-yl)-(3,6-dihydro-2H-pyridin-1-yl)methanone (CID 114407063) is (3-aminothiophen-2-yl)-(3,6-dihydro-2H-pyridin-1-yl)methanone.
What is the SMILES notation for (3-aminothiophen-2-yl)-(3,6-dihydro-2H-pyridin-1-yl)methanone?
The canonical SMILES for (3-aminothiophen-2-yl)-(3,6-dihydro-2H-pyridin-1-yl)methanone is Nc1ccsc1C(=O)N1CC=CCC1.
What is the InChIKey of (3-aminothiophen-2-yl)-(3,6-dihydro-2H-pyridin-1-yl)methanone?
The InChIKey is NBHUWFSKSPJESU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2OS/c11-8-4-7-14-9(8)10(13)12-5-2-1-3-6-12/h1-2,4,7H,3,5-6,11H2.
What are the key properties of (3-aminothiophen-2-yl)-(3,6-dihydro-2H-pyridin-1-yl)methanone?
(3-aminothiophen-2-yl)-(3,6-dihydro-2H-pyridin-1-yl)methanone has a molecular weight of 208.29 g/mol, XLogP of 1.73, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminothiophen-2-yl)-(3,6-dihydro-2H-pyridin-1-yl)methanone is sourced from PubChem (CID 114407063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).