(2-aminocycloheptyl)-(3-methylthiophen-2-yl)methanone

C13H19NOS — CID 116595147

IUPAC(2-aminocycloheptyl)-(3-methylthiophen-2-yl)methanone
SMILESCc1ccsc1C(=O)C1CCCCCC1N
InChIInChI=1S/C13H19NOS/c1-9-7-8-16-13(9)12(15)10-5-3-2-4-6-11(10)14/h7-8,10-11H,2-6,14H2,1H3
InChIKeyDFTHTUYESYEYDE-UHFFFAOYSA-N
MW237.37 g/mol
LogP3.15
Rot. Bonds2

About (2-aminocycloheptyl)-(3-methylthiophen-2-yl)methanone

(2-aminocycloheptyl)-(3-methylthiophen-2-yl)methanone (PubChem CID 116595147) has the molecular formula C13H19NOS and a molecular weight of 237.37 g/mol. Its IUPAC name is (2-aminocycloheptyl)-(3-methylthiophen-2-yl)methanone.

Molecular Properties

Compound Name(2-aminocycloheptyl)-(3-methylthiophen-2-yl)methanone
PubChem CID116595147
Molecular FormulaC13H19NOS
Molecular Weight237.37 g/mol
Exact Mass237.12
IUPAC Name(2-aminocycloheptyl)-(3-methylthiophen-2-yl)methanone
SMILESCc1ccsc1C(=O)C1CCCCCC1N
InChIInChI=1S/C13H19NOS/c1-9-7-8-16-13(9)12(15)10-5-3-2-4-6-11(10)14/h7-8,10-11H,2-6,14H2,1H3
InChIKeyDFTHTUYESYEYDE-UHFFFAOYSA-N
XLogP3.15
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.37
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-aminocyclohexyl)-3-methylthiophene-2-carboxamide;hydrochloride
CID 71638238
(2-aminocycloheptyl)-(2,4-dimethylphenyl)methanone
CID 116595098
(3-methylthiophen-2-yl)-(oxan-2-yl)methanone
CID 62214771
cis-(1R,2S)-2-[(3-methylthiophene-2-carbonyl)amino]cycloheptane-1-carboxylic acid
CID 97161349
(2-aminocycloheptyl)-thiophen-3-ylmethanone
CID 116595140
(2-aminocyclohexyl)-thiophen-3-ylmethanone
CID 116579819
(2-aminocyclopentyl)-thiophen-2-ylmethanone
CID 116580321
(3-methylcyclohexyl)-(3-methylthiophen-2-yl)methanone
CID 79991728
(2-aminocycloheptyl)-(4-tert-butylphenyl)methanone
CID 116595307
(2-aminocyclohexyl)-(4-methyl-3-pyridinyl)methanone
CID 116580007
(2-aminocyclohexyl)-(4-fluoro-2-methylphenyl)methanone
CID 116580026
3-methyl-N-[2-(piperidin-1-ylmethyl)cyclohexyl]thiophene-2-carboxamide
CID 140519163

Frequently Asked Questions

What is the IUPAC name of (2-aminocycloheptyl)-(3-methylthiophen-2-yl)methanone?
The IUPAC name of (2-aminocycloheptyl)-(3-methylthiophen-2-yl)methanone (CID 116595147) is (2-aminocycloheptyl)-(3-methylthiophen-2-yl)methanone.
What is the SMILES notation for (2-aminocycloheptyl)-(3-methylthiophen-2-yl)methanone?
The canonical SMILES for (2-aminocycloheptyl)-(3-methylthiophen-2-yl)methanone is Cc1ccsc1C(=O)C1CCCCCC1N.
What is the InChIKey of (2-aminocycloheptyl)-(3-methylthiophen-2-yl)methanone?
The InChIKey is DFTHTUYESYEYDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NOS/c1-9-7-8-16-13(9)12(15)10-5-3-2-4-6-11(10)14/h7-8,10-11H,2-6,14H2,1H3.
What are the key properties of (2-aminocycloheptyl)-(3-methylthiophen-2-yl)methanone?
(2-aminocycloheptyl)-(3-methylthiophen-2-yl)methanone has a molecular weight of 237.37 g/mol, XLogP of 3.15, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-aminocycloheptyl)-(3-methylthiophen-2-yl)methanone is sourced from PubChem (CID 116595147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).