N-(methylsulfinylmethyl)-N-propylformamide

C6H13NO2S — CID 91073027

IUPACN-(methylsulfinylmethyl)-N-propylformamide
SMILESCCCN(C=O)CS(C)=O
InChIInChI=1S/C6H13NO2S/c1-3-4-7(5-8)6-10(2)9/h5H,3-4,6H2,1-2H3
InChIKeyPVJXNJJEZASNNT-UHFFFAOYSA-N
MW163.24 g/mol
LogP0.19
Rot. Bonds5

About N-(methylsulfinylmethyl)-N-propylformamide

N-(methylsulfinylmethyl)-N-propylformamide (PubChem CID 91073027) has the molecular formula C6H13NO2S and a molecular weight of 163.24 g/mol. Its IUPAC name is N-(methylsulfinylmethyl)-N-propylformamide.

Molecular Properties

Compound NameN-(methylsulfinylmethyl)-N-propylformamide
PubChem CID91073027
Molecular FormulaC6H13NO2S
Molecular Weight163.24 g/mol
Exact Mass163.07
IUPAC NameN-(methylsulfinylmethyl)-N-propylformamide
SMILESCCCN(C=O)CS(C)=O
InChIInChI=1S/C6H13NO2S/c1-3-4-7(5-8)6-10(2)9/h5H,3-4,6H2,1-2H3
InChIKeyPVJXNJJEZASNNT-UHFFFAOYSA-N
XLogP0.19
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.24
LogP ≤ 50.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-(2-phosphanylbutyl)-N-propylformamide
CID 155318199
N-(2-methoxyethyl)-N-propylformamide
CID 54522950
N-decyl-N-dodecylformamide
CID 174803125
N-hexyl-N-octylformamide
CID 169189817
N-methyl-N-propylmethanesulfinamide
CID 123481473
N-butyl-N-octadecylformamide
CID 54030417
cadmium;N,N-diethylformamide
CID 157494696
N-bromo-N-propylformamide
CID 173221456
N-ethyl-N-hexylformamide
CID 54565973
S-[methyl(propyl)amino] methanethioate
CID 54385630
2-[butyl(formyl)amino]ethylmercury
CID 142121724
N'-ethyl-N,N-dipropylmethanimidamide;hydrochloride
CID 88610819

Frequently Asked Questions

What is the IUPAC name of N-(methylsulfinylmethyl)-N-propylformamide?
The IUPAC name of N-(methylsulfinylmethyl)-N-propylformamide (CID 91073027) is N-(methylsulfinylmethyl)-N-propylformamide.
What is the SMILES notation for N-(methylsulfinylmethyl)-N-propylformamide?
The canonical SMILES for N-(methylsulfinylmethyl)-N-propylformamide is CCCN(C=O)CS(C)=O.
What is the InChIKey of N-(methylsulfinylmethyl)-N-propylformamide?
The InChIKey is PVJXNJJEZASNNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2S/c1-3-4-7(5-8)6-10(2)9/h5H,3-4,6H2,1-2H3.
What are the key properties of N-(methylsulfinylmethyl)-N-propylformamide?
N-(methylsulfinylmethyl)-N-propylformamide has a molecular weight of 163.24 g/mol, XLogP of 0.19, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(methylsulfinylmethyl)-N-propylformamide is sourced from PubChem (CID 91073027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).