N-methyl-1-(1-oxothietan-3-yl)methanamine

C5H11NOS — CID 142607679

IUPACN-methyl-1-(1-oxothietan-3-yl)methanamine
SMILESCNCC1CS(=O)C1
InChIInChI=1S/C5H11NOS/c1-6-2-5-3-8(7)4-5/h5-6H,2-4H2,1H3
InChIKeyJSTOFQWVPMQKJE-UHFFFAOYSA-N
MW133.22 g/mol
LogP-0.42
Rot. Bonds2

About N-methyl-1-(1-oxothietan-3-yl)methanamine

N-methyl-1-(1-oxothietan-3-yl)methanamine (PubChem CID 142607679) has the molecular formula C5H11NOS and a molecular weight of 133.22 g/mol. Its IUPAC name is N-methyl-1-(1-oxothietan-3-yl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(1-oxothietan-3-yl)methanamine
PubChem CID142607679
Molecular FormulaC5H11NOS
Molecular Weight133.22 g/mol
Exact Mass133.06
IUPAC NameN-methyl-1-(1-oxothietan-3-yl)methanamine
SMILESCNCC1CS(=O)C1
InChIInChI=1S/C5H11NOS/c1-6-2-5-3-8(7)4-5/h5-6H,2-4H2,1H3
InChIKeyJSTOFQWVPMQKJE-UHFFFAOYSA-N
XLogP-0.42
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.22
LogP ≤ 5-0.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(1-oxothietan-3-yl)methanamine?
The IUPAC name of N-methyl-1-(1-oxothietan-3-yl)methanamine (CID 142607679) is N-methyl-1-(1-oxothietan-3-yl)methanamine.
What is the SMILES notation for N-methyl-1-(1-oxothietan-3-yl)methanamine?
The canonical SMILES for N-methyl-1-(1-oxothietan-3-yl)methanamine is CNCC1CS(=O)C1.
What is the InChIKey of N-methyl-1-(1-oxothietan-3-yl)methanamine?
The InChIKey is JSTOFQWVPMQKJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NOS/c1-6-2-5-3-8(7)4-5/h5-6H,2-4H2,1H3.
What are the key properties of N-methyl-1-(1-oxothietan-3-yl)methanamine?
N-methyl-1-(1-oxothietan-3-yl)methanamine has a molecular weight of 133.22 g/mol, XLogP of -0.42, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(1-oxothietan-3-yl)methanamine is sourced from PubChem (CID 142607679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).