2-[4-[[(2-methylthiolan-2-yl)methylamino]methyl]phenoxy]acetamide

C15H22N2O2S — CID 80528735

IUPAC2-[4-[[(2-methylthiolan-2-yl)methylamino]methyl]phenoxy]acetamide
SMILESCC1(CNCc2ccc(OCC(N)=O)cc2)CCCS1
InChIInChI=1S/C15H22N2O2S/c1-15(7-2-8-20-15)11-17-9-12-3-5-13(6-4-12)19-10-14(16)18/h3-6,17H,2,7-11H2,1H3,(H2,16,18)
InChIKeyMWVNAYSMVADFLV-UHFFFAOYSA-N
MW294.42 g/mol
LogP1.93
Rot. Bonds7

About 2-[4-[[(2-methylthiolan-2-yl)methylamino]methyl]phenoxy]acetamide

2-[4-[[(2-methylthiolan-2-yl)methylamino]methyl]phenoxy]acetamide (PubChem CID 80528735) has the molecular formula C15H22N2O2S and a molecular weight of 294.42 g/mol. Its IUPAC name is 2-[4-[[(2-methylthiolan-2-yl)methylamino]methyl]phenoxy]acetamide.

Molecular Properties

Compound Name2-[4-[[(2-methylthiolan-2-yl)methylamino]methyl]phenoxy]acetamide
PubChem CID80528735
Molecular FormulaC15H22N2O2S
Molecular Weight294.42 g/mol
Exact Mass294.14
IUPAC Name2-[4-[[(2-methylthiolan-2-yl)methylamino]methyl]phenoxy]acetamide
SMILESCC1(CNCc2ccc(OCC(N)=O)cc2)CCCS1
InChIInChI=1S/C15H22N2O2S/c1-15(7-2-8-20-15)11-17-9-12-3-5-13(6-4-12)19-10-14(16)18/h3-6,17H,2,7-11H2,1H3,(H2,16,18)
InChIKeyMWVNAYSMVADFLV-UHFFFAOYSA-N
XLogP1.93
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[[[1-(dimethylamino)cyclobutyl]methylamino]methyl]phenoxy]acetamide
CID 105415307
2-(4-carbamothioylphenoxy)-N-[(2-methylthiolan-2-yl)methyl]acetamide
CID 80743214
4-[2-[(2-methylthiolan-2-yl)methylamino]ethoxy]benzoic acid
CID 103259878
2-[4-[(2,3-dimethylbutylamino)methyl]phenoxy]acetamide
CID 64568674
2-[4-[(2,2-dimethylpropylamino)methyl]phenoxy]acetamide
CID 61166013
2-bromo-4-[[(2-methylthiolan-2-yl)methylamino]methyl]phenol
CID 80723443
1-(4-ethoxy-3-methoxyphenyl)-N-[(2-methylthiolan-2-yl)methyl]methanamine
CID 80528549
4-(aminomethyl)-N-[(2-methylthiolan-2-yl)methyl]benzamide
CID 80736770
1-(3-chloro-4-methylphenyl)-N-[(2-methylthiolan-2-yl)methyl]methanamine
CID 106816959
2-[[4-(2-amino-2-oxoethoxy)phenyl]methylamino]ethyl carbamate
CID 83211507
2-[4-[[(4-hydroxycyclohexyl)methylamino]methyl]phenoxy]acetamide
CID 106125082
2-[4-[(2,2,3-trimethylbutylamino)methyl]phenoxy]acetamide
CID 102609863

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[(2-methylthiolan-2-yl)methylamino]methyl]phenoxy]acetamide?
The IUPAC name of 2-[4-[[(2-methylthiolan-2-yl)methylamino]methyl]phenoxy]acetamide (CID 80528735) is 2-[4-[[(2-methylthiolan-2-yl)methylamino]methyl]phenoxy]acetamide.
What is the SMILES notation for 2-[4-[[(2-methylthiolan-2-yl)methylamino]methyl]phenoxy]acetamide?
The canonical SMILES for 2-[4-[[(2-methylthiolan-2-yl)methylamino]methyl]phenoxy]acetamide is CC1(CNCc2ccc(OCC(N)=O)cc2)CCCS1.
What is the InChIKey of 2-[4-[[(2-methylthiolan-2-yl)methylamino]methyl]phenoxy]acetamide?
The InChIKey is MWVNAYSMVADFLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2S/c1-15(7-2-8-20-15)11-17-9-12-3-5-13(6-4-12)19-10-14(16)18/h3-6,17H,2,7-11H2,1H3,(H2,16,18).
What are the key properties of 2-[4-[[(2-methylthiolan-2-yl)methylamino]methyl]phenoxy]acetamide?
2-[4-[[(2-methylthiolan-2-yl)methylamino]methyl]phenoxy]acetamide has a molecular weight of 294.42 g/mol, XLogP of 1.93, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[(2-methylthiolan-2-yl)methylamino]methyl]phenoxy]acetamide is sourced from PubChem (CID 80528735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).