2-ethoxy-N-methyl-2-(thian-3-yl)propan-1-amine

C11H23NOS — CID 105471843

IUPAC2-ethoxy-N-methyl-2-(thian-3-yl)propan-1-amine
SMILESCCOC(C)(CNC)C1CCCSC1
InChIInChI=1S/C11H23NOS/c1-4-13-11(2,9-12-3)10-6-5-7-14-8-10/h10,12H,4-9H2,1-3H3
InChIKeyGMKAJYTVRMXJMB-UHFFFAOYSA-N
MW217.38 g/mol
LogP2.14
Rot. Bonds5

About 2-ethoxy-N-methyl-2-(thian-3-yl)propan-1-amine

2-ethoxy-N-methyl-2-(thian-3-yl)propan-1-amine (PubChem CID 105471843) has the molecular formula C11H23NOS and a molecular weight of 217.38 g/mol. Its IUPAC name is 2-ethoxy-N-methyl-2-(thian-3-yl)propan-1-amine.

Molecular Properties

Compound Name2-ethoxy-N-methyl-2-(thian-3-yl)propan-1-amine
PubChem CID105471843
Molecular FormulaC11H23NOS
Molecular Weight217.38 g/mol
Exact Mass217.15
IUPAC Name2-ethoxy-N-methyl-2-(thian-3-yl)propan-1-amine
SMILESCCOC(C)(CNC)C1CCCSC1
InChIInChI=1S/C11H23NOS/c1-4-13-11(2,9-12-3)10-6-5-7-14-8-10/h10,12H,4-9H2,1-3H3
InChIKeyGMKAJYTVRMXJMB-UHFFFAOYSA-N
XLogP2.14
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.38
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-tert-butylthiane
CID 89424239
2-(thian-3-yl)propan-2-amine
CID 82415632
2-methyl-2-(thian-3-yl)propan-1-amine
CID 117104704
2-ethoxy-4,4,4-trifluoro-N,2-dimethylbutan-1-amine
CID 105452014
triethoxymethylcyclobutane
CID 64986091
2,2-difluoro-2-(thian-3-yl)ethanol
CID 105440136
2-cyclopentyl-2-fluoro-N-methylpropan-1-amine
CID 105431292
2-cyclobutyl-2-fluoro-N-methylpropan-1-amine
CID 105428809
N-(2-cyclopentyl-2-methylpropyl)thiolan-3-amine
CID 115895846
N-methylthian-3-amine;hydrochloride
CID 86811695
2-propoxybutan-2-ylcyclopentane
CID 158420288
N-(2-cyclohexyl-2-methylpropyl)thiolan-3-amine
CID 115897210

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-methyl-2-(thian-3-yl)propan-1-amine?
The IUPAC name of 2-ethoxy-N-methyl-2-(thian-3-yl)propan-1-amine (CID 105471843) is 2-ethoxy-N-methyl-2-(thian-3-yl)propan-1-amine.
What is the SMILES notation for 2-ethoxy-N-methyl-2-(thian-3-yl)propan-1-amine?
The canonical SMILES for 2-ethoxy-N-methyl-2-(thian-3-yl)propan-1-amine is CCOC(C)(CNC)C1CCCSC1.
What is the InChIKey of 2-ethoxy-N-methyl-2-(thian-3-yl)propan-1-amine?
The InChIKey is GMKAJYTVRMXJMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NOS/c1-4-13-11(2,9-12-3)10-6-5-7-14-8-10/h10,12H,4-9H2,1-3H3.
What are the key properties of 2-ethoxy-N-methyl-2-(thian-3-yl)propan-1-amine?
2-ethoxy-N-methyl-2-(thian-3-yl)propan-1-amine has a molecular weight of 217.38 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-methyl-2-(thian-3-yl)propan-1-amine is sourced from PubChem (CID 105471843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).