N-methyl-N-propan-2-yloctanethioamide

C12H25NS — CID 162517919

IUPACN-methyl-N-propan-2-yloctanethioamide
SMILESCCCCCCCC(=S)N(C)C(C)C
InChIInChI=1S/C12H25NS/c1-5-6-7-8-9-10-12(14)13(4)11(2)3/h11H,5-10H2,1-4H3
InChIKeyZSJVPTGLWZPTHO-UHFFFAOYSA-N
MW215.41 g/mol
LogP4.01
Rot. Bonds7

About N-methyl-N-propan-2-yloctanethioamide

N-methyl-N-propan-2-yloctanethioamide (PubChem CID 162517919) has the molecular formula C12H25NS and a molecular weight of 215.41 g/mol. Its IUPAC name is N-methyl-N-propan-2-yloctanethioamide.

Molecular Properties

Compound NameN-methyl-N-propan-2-yloctanethioamide
PubChem CID162517919
Molecular FormulaC12H25NS
Molecular Weight215.41 g/mol
Exact Mass215.17
IUPAC NameN-methyl-N-propan-2-yloctanethioamide
SMILESCCCCCCCC(=S)N(C)C(C)C
InChIInChI=1S/C12H25NS/c1-5-6-7-8-9-10-12(14)13(4)11(2)3/h11H,5-10H2,1-4H3
InChIKeyZSJVPTGLWZPTHO-UHFFFAOYSA-N
XLogP4.01
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.41
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

ethane;N-methyl-N-propan-2-ylnonanamide
CID 142045586
nonanethioyl chloride
CID 54550885
2-methyldecane-3-thione
CID 57032635
N-(1-amino-1-sulfanylidenepropan-2-yl)-N-methylnonanamide
CID 65448406
tricosane-12-thione
CID 175705265
tridecane-7-thione
CID 13433382
6-methylidenedodecane
CID 21453027
octadecane-9,10-dithione
CID 118647989
6-methylidenetetradecane
CID 21477883
19-methylideneheptatriacontane;titanium
CID 174477367
2-methyl-5-methylideneundecane
CID 54320712
N-methyl-6-methylidene-N-octyloctadecan-1-amine
CID 154642833

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-propan-2-yloctanethioamide?
The IUPAC name of N-methyl-N-propan-2-yloctanethioamide (CID 162517919) is N-methyl-N-propan-2-yloctanethioamide.
What is the SMILES notation for N-methyl-N-propan-2-yloctanethioamide?
The canonical SMILES for N-methyl-N-propan-2-yloctanethioamide is CCCCCCCC(=S)N(C)C(C)C.
What is the InChIKey of N-methyl-N-propan-2-yloctanethioamide?
The InChIKey is ZSJVPTGLWZPTHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NS/c1-5-6-7-8-9-10-12(14)13(4)11(2)3/h11H,5-10H2,1-4H3.
What are the key properties of N-methyl-N-propan-2-yloctanethioamide?
N-methyl-N-propan-2-yloctanethioamide has a molecular weight of 215.41 g/mol, XLogP of 4.01, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-propan-2-yloctanethioamide is sourced from PubChem (CID 162517919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).