1-(1,1-dioxothiolan-2-yl)-N-[(2-methoxyphenyl)methyl]methanamine

C13H19NO3S — CID 71916408

IUPAC1-(1,1-dioxothiolan-2-yl)-N-[(2-methoxyphenyl)methyl]methanamine
SMILESCOc1ccccc1CNCC1CCCS1(=O)=O
InChIInChI=1S/C13H19NO3S/c1-17-13-7-3-2-5-11(13)9-14-10-12-6-4-8-18(12,15)16/h2-3,5,7,12,14H,4,6,8-10H2,1H3
InChIKeyMMZUGNXGENTVDC-UHFFFAOYSA-N
MW269.37 g/mol
LogP1.36
Rot. Bonds5

About 1-(1,1-dioxothiolan-2-yl)-N-[(2-methoxyphenyl)methyl]methanamine

1-(1,1-dioxothiolan-2-yl)-N-[(2-methoxyphenyl)methyl]methanamine (PubChem CID 71916408) has the molecular formula C13H19NO3S and a molecular weight of 269.37 g/mol. Its IUPAC name is 1-(1,1-dioxothiolan-2-yl)-N-[(2-methoxyphenyl)methyl]methanamine.

Molecular Properties

Compound Name1-(1,1-dioxothiolan-2-yl)-N-[(2-methoxyphenyl)methyl]methanamine
PubChem CID71916408
Molecular FormulaC13H19NO3S
Molecular Weight269.37 g/mol
Exact Mass269.11
IUPAC Name1-(1,1-dioxothiolan-2-yl)-N-[(2-methoxyphenyl)methyl]methanamine
SMILESCOc1ccccc1CNCC1CCCS1(=O)=O
InChIInChI=1S/C13H19NO3S/c1-17-13-7-3-2-5-11(13)9-14-10-12-6-4-8-18(12,15)16/h2-3,5,7,12,14H,4,6,8-10H2,1H3
InChIKeyMMZUGNXGENTVDC-UHFFFAOYSA-N
XLogP1.36
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 2317
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NoName_3561
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2-(2,5-Dimethoxyphenyl)-3-(methylsulfonyl)-1,3-thiazolidine
CID 3151547
((2-Methoxyphenyl)methyl)((thiophen-2-yl)methyl)amine
CID 2115238
4-(2-Methoxybenzyl)thiomorpholine
CID 764944
2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 2343710
N-[(2-Methoxyphenyl)methyl]-3-[(4-methylphenyl)methanesulfonyl]propanamide
CID 4135985
3-(Benzenesulfonyl)-2-(2-methoxyphenyl)-1,3-thiazolidine
CID 4174260
1-(2-methoxyphenyl)-N-(thiophen-2-ylmethyl)methanamine;hydrochloride
CID 6461550

Frequently Asked Questions

What is the IUPAC name of 1-(1,1-dioxothiolan-2-yl)-N-[(2-methoxyphenyl)methyl]methanamine?
The IUPAC name of 1-(1,1-dioxothiolan-2-yl)-N-[(2-methoxyphenyl)methyl]methanamine (CID 71916408) is 1-(1,1-dioxothiolan-2-yl)-N-[(2-methoxyphenyl)methyl]methanamine.
What is the SMILES notation for 1-(1,1-dioxothiolan-2-yl)-N-[(2-methoxyphenyl)methyl]methanamine?
The canonical SMILES for 1-(1,1-dioxothiolan-2-yl)-N-[(2-methoxyphenyl)methyl]methanamine is COc1ccccc1CNCC1CCCS1(=O)=O.
What is the InChIKey of 1-(1,1-dioxothiolan-2-yl)-N-[(2-methoxyphenyl)methyl]methanamine?
The InChIKey is MMZUGNXGENTVDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3S/c1-17-13-7-3-2-5-11(13)9-14-10-12-6-4-8-18(12,15)16/h2-3,5,7,12,14H,4,6,8-10H2,1H3.
What are the key properties of 1-(1,1-dioxothiolan-2-yl)-N-[(2-methoxyphenyl)methyl]methanamine?
1-(1,1-dioxothiolan-2-yl)-N-[(2-methoxyphenyl)methyl]methanamine has a molecular weight of 269.37 g/mol, XLogP of 1.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-dioxothiolan-2-yl)-N-[(2-methoxyphenyl)methyl]methanamine is sourced from PubChem (CID 71916408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).