N-[(3-methyloxetan-3-yl)methyl]-3-methylsulfanylpropanamide

C9H17NO2S — CID 78957563

IUPACN-[(3-methyloxetan-3-yl)methyl]-3-methylsulfanylpropanamide
SMILESCSCCC(=O)NCC1(C)COC1
InChIInChI=1S/C9H17NO2S/c1-9(6-12-7-9)5-10-8(11)3-4-13-2/h3-7H2,1-2H3,(H,10,11)
InChIKeyAMPUGBHLGBSCSG-UHFFFAOYSA-N
MW203.31 g/mol
LogP0.89
Rot. Bonds5

About N-[(3-methyloxetan-3-yl)methyl]-3-methylsulfanylpropanamide

N-[(3-methyloxetan-3-yl)methyl]-3-methylsulfanylpropanamide (PubChem CID 78957563) has the molecular formula C9H17NO2S and a molecular weight of 203.31 g/mol. Its IUPAC name is N-[(3-methyloxetan-3-yl)methyl]-3-methylsulfanylpropanamide.

Molecular Properties

Compound NameN-[(3-methyloxetan-3-yl)methyl]-3-methylsulfanylpropanamide
PubChem CID78957563
Molecular FormulaC9H17NO2S
Molecular Weight203.31 g/mol
Exact Mass203.10
IUPAC NameN-[(3-methyloxetan-3-yl)methyl]-3-methylsulfanylpropanamide
SMILESCSCCC(=O)NCC1(C)COC1
InChIInChI=1S/C9H17NO2S/c1-9(6-12-7-9)5-10-8(11)3-4-13-2/h3-7H2,1-2H3,(H,10,11)
InChIKeyAMPUGBHLGBSCSG-UHFFFAOYSA-N
XLogP0.89
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.31
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3-methyloxetan-3-yl)methyl]-3-methylsulfanylpropanamide?
The IUPAC name of N-[(3-methyloxetan-3-yl)methyl]-3-methylsulfanylpropanamide (CID 78957563) is N-[(3-methyloxetan-3-yl)methyl]-3-methylsulfanylpropanamide.
What is the SMILES notation for N-[(3-methyloxetan-3-yl)methyl]-3-methylsulfanylpropanamide?
The canonical SMILES for N-[(3-methyloxetan-3-yl)methyl]-3-methylsulfanylpropanamide is CSCCC(=O)NCC1(C)COC1.
What is the InChIKey of N-[(3-methyloxetan-3-yl)methyl]-3-methylsulfanylpropanamide?
The InChIKey is AMPUGBHLGBSCSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2S/c1-9(6-12-7-9)5-10-8(11)3-4-13-2/h3-7H2,1-2H3,(H,10,11).
What are the key properties of N-[(3-methyloxetan-3-yl)methyl]-3-methylsulfanylpropanamide?
N-[(3-methyloxetan-3-yl)methyl]-3-methylsulfanylpropanamide has a molecular weight of 203.31 g/mol, XLogP of 0.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methyloxetan-3-yl)methyl]-3-methylsulfanylpropanamide is sourced from PubChem (CID 78957563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).