(2-aminocycloheptyl)-thiophen-3-ylmethanone

C12H17NOS — CID 116595140

IUPAC(2-aminocycloheptyl)-thiophen-3-ylmethanone
SMILESNC1CCCCCC1C(=O)c1ccsc1
InChIInChI=1S/C12H17NOS/c13-11-5-3-1-2-4-10(11)12(14)9-6-7-15-8-9/h6-8,10-11H,1-5,13H2
InChIKeyJVAWOOVVZLYXPG-UHFFFAOYSA-N
MW223.34 g/mol
LogP2.84
Rot. Bonds2

About (2-aminocycloheptyl)-thiophen-3-ylmethanone

(2-aminocycloheptyl)-thiophen-3-ylmethanone (PubChem CID 116595140) has the molecular formula C12H17NOS and a molecular weight of 223.34 g/mol. Its IUPAC name is (2-aminocycloheptyl)-thiophen-3-ylmethanone.

Molecular Properties

Compound Name(2-aminocycloheptyl)-thiophen-3-ylmethanone
PubChem CID116595140
Molecular FormulaC12H17NOS
Molecular Weight223.34 g/mol
Exact Mass223.10
IUPAC Name(2-aminocycloheptyl)-thiophen-3-ylmethanone
SMILESNC1CCCCCC1C(=O)c1ccsc1
InChIInChI=1S/C12H17NOS/c13-11-5-3-1-2-4-10(11)12(14)9-6-7-15-8-9/h6-8,10-11H,1-5,13H2
InChIKeyJVAWOOVVZLYXPG-UHFFFAOYSA-N
XLogP2.84
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-aminocyclohexyl)-thiophen-3-ylmethanone
CID 116579819
(2-aminocyclopentyl)-[4-(thiophene-3-carbonyl)piperazin-1-yl]methanone
CID 64823608
(2-aminocycloheptyl)-(4-tert-butylphenyl)methanone
CID 116595307
1-(2-aminocyclohexyl)-3-thiophen-3-ylpropan-1-one
CID 116579929
2-(thiophene-3-carbonyl)cyclopropane-1-carboxylic acid
CID 123320476
(2-aminocyclohexyl)-(4-phenylphenyl)methanone
CID 116579817
(2-aminocycloheptyl)-(3-methylthiophen-2-yl)methanone
CID 116595147
1-(2-aminocyclopentyl)-2-thiophen-3-ylethanone
CID 116580255
2-amino-N-(1-thiophen-3-ylethyl)cyclopentane-1-carboxamide
CID 64824650
(2-methylpyrrolidin-3-yl)-thiophen-3-ylmethanone
CID 116592037
(2-aminocyclopentyl)-thiophen-2-ylmethanone
CID 116580321
(2-aminocycloheptyl)-(2-chlorophenyl)methanone
CID 116595085

Frequently Asked Questions

What is the IUPAC name of (2-aminocycloheptyl)-thiophen-3-ylmethanone?
The IUPAC name of (2-aminocycloheptyl)-thiophen-3-ylmethanone (CID 116595140) is (2-aminocycloheptyl)-thiophen-3-ylmethanone.
What is the SMILES notation for (2-aminocycloheptyl)-thiophen-3-ylmethanone?
The canonical SMILES for (2-aminocycloheptyl)-thiophen-3-ylmethanone is NC1CCCCCC1C(=O)c1ccsc1.
What is the InChIKey of (2-aminocycloheptyl)-thiophen-3-ylmethanone?
The InChIKey is JVAWOOVVZLYXPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NOS/c13-11-5-3-1-2-4-10(11)12(14)9-6-7-15-8-9/h6-8,10-11H,1-5,13H2.
What are the key properties of (2-aminocycloheptyl)-thiophen-3-ylmethanone?
(2-aminocycloheptyl)-thiophen-3-ylmethanone has a molecular weight of 223.34 g/mol, XLogP of 2.84, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-aminocycloheptyl)-thiophen-3-ylmethanone is sourced from PubChem (CID 116595140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).