N-(2-ethoxyphenyl)thiolan-3-amine

C12H17NOS — CID 43191691

IUPACN-(2-ethoxyphenyl)thiolan-3-amine
SMILESCCOc1ccccc1NC1CCSC1
InChIInChI=1S/C12H17NOS/c1-2-14-12-6-4-3-5-11(12)13-10-7-8-15-9-10/h3-6,10,13H,2,7-9H2,1H3
InChIKeySMYRHONFJRCXPH-UHFFFAOYSA-N
MW223.34 g/mol
LogP3.00
Rot. Bonds4

About N-(2-ethoxyphenyl)thiolan-3-amine

N-(2-ethoxyphenyl)thiolan-3-amine (PubChem CID 43191691) has the molecular formula C12H17NOS and a molecular weight of 223.34 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)thiolan-3-amine.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)thiolan-3-amine
PubChem CID43191691
Molecular FormulaC12H17NOS
Molecular Weight223.34 g/mol
Exact Mass223.10
IUPAC NameN-(2-ethoxyphenyl)thiolan-3-amine
SMILESCCOc1ccccc1NC1CCSC1
InChIInChI=1S/C12H17NOS/c1-2-14-12-6-4-3-5-11(12)13-10-7-8-15-9-10/h3-6,10,13H,2,7-9H2,1H3
InChIKeySMYRHONFJRCXPH-UHFFFAOYSA-N
XLogP3.00
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-ethoxyphenyl)thiolane-3-carboxamide
CID 110860132
N-[1-(2-ethoxyphenyl)ethyl]thiolan-3-amine
CID 103779622
N-(2-propan-2-yloxyphenyl)thian-3-amine
CID 62871809
1-N-(2-ethoxyphenyl)cyclohexane-1,3-diamine
CID 79459001
(3S)-N-(2-iodophenyl)thiolan-3-amine
CID 93023740
2-ethoxy-N-(thian-4-yl)pyridin-3-amine
CID 43706527
N-(2-propylphenyl)thian-3-amine
CID 62871075
N-[(3-ethoxy-2-methoxyphenyl)methyl]thiolan-3-amine
CID 103701615
N-(2-methoxy-4-methylphenyl)thiolan-3-amine
CID 60932234
ethyl 4-(2-ethoxyanilino)piperidine-1-carboxylate
CID 43758190
N-(2-ethoxyphenyl)-1,5-dimethylpyrrolidin-3-amine
CID 81465704
4-ethoxy-3-methyl-3-[2-(thiolan-3-ylamino)phenyl]butanal
CID 172833567

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)thiolan-3-amine?
The IUPAC name of N-(2-ethoxyphenyl)thiolan-3-amine (CID 43191691) is N-(2-ethoxyphenyl)thiolan-3-amine.
What is the SMILES notation for N-(2-ethoxyphenyl)thiolan-3-amine?
The canonical SMILES for N-(2-ethoxyphenyl)thiolan-3-amine is CCOc1ccccc1NC1CCSC1.
What is the InChIKey of N-(2-ethoxyphenyl)thiolan-3-amine?
The InChIKey is SMYRHONFJRCXPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NOS/c1-2-14-12-6-4-3-5-11(12)13-10-7-8-15-9-10/h3-6,10,13H,2,7-9H2,1H3.
What are the key properties of N-(2-ethoxyphenyl)thiolan-3-amine?
N-(2-ethoxyphenyl)thiolan-3-amine has a molecular weight of 223.34 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyphenyl)thiolan-3-amine is sourced from PubChem (CID 43191691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).