N-methyl-N-(4-methylsulfanylbutan-2-yl)-2-sulfanylpropanamide

C9H19NOS2 — CID 107036026

IUPACN-methyl-N-(4-methylsulfanylbutan-2-yl)-2-sulfanylpropanamide
SMILESCSCCC(C)N(C)C(=O)C(C)S
InChIInChI=1S/C9H19NOS2/c1-7(5-6-13-4)10(3)9(11)8(2)12/h7-8,12H,5-6H2,1-4H3
InChIKeyCDUPFERGLYKRON-UHFFFAOYSA-N
MW221.39 g/mol
LogP1.90
Rot. Bonds5

About N-methyl-N-(4-methylsulfanylbutan-2-yl)-2-sulfanylpropanamide

N-methyl-N-(4-methylsulfanylbutan-2-yl)-2-sulfanylpropanamide (PubChem CID 107036026) has the molecular formula C9H19NOS2 and a molecular weight of 221.39 g/mol. Its IUPAC name is N-methyl-N-(4-methylsulfanylbutan-2-yl)-2-sulfanylpropanamide.

Molecular Properties

Compound NameN-methyl-N-(4-methylsulfanylbutan-2-yl)-2-sulfanylpropanamide
PubChem CID107036026
Molecular FormulaC9H19NOS2
Molecular Weight221.39 g/mol
Exact Mass221.09
IUPAC NameN-methyl-N-(4-methylsulfanylbutan-2-yl)-2-sulfanylpropanamide
SMILESCSCCC(C)N(C)C(=O)C(C)S
InChIInChI=1S/C9H19NOS2/c1-7(5-6-13-4)10(3)9(11)8(2)12/h7-8,12H,5-6H2,1-4H3
InChIKeyCDUPFERGLYKRON-UHFFFAOYSA-N
XLogP1.90
TPSA20.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.39
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-amino-N-methyl-N-(4-methylsulfanylbutan-2-yl)butanamide
CID 103797449
(2R)-2-amino-N-methyl-N-(4-methylsulfanylbutan-2-yl)pentanamide
CID 103797446
(2S)-2-amino-N,3,3-trimethyl-N-(4-methylsulfanylbutan-2-yl)butanamide
CID 104876484
propan-2-yl N-methyl-N-(4-methylsulfanylbutan-2-yl)carbamate
CID 116658052
(2S)-2-amino-N-methyl-N-(4-methylpentan-2-yl)-4-methylsulfanylbutanamide
CID 61165244
1-methyl-1-(4-methylsulfanylbutan-2-yl)-3-propylurea
CID 115640922
5-bromo-N-methyl-N-(4-methylsulfanylbutan-2-yl)pentanamide
CID 107910661
2-hydroxy-1-methyl-1-(4-methylsulfanylbutan-2-yl)guanidine
CID 104876660
N,2-dimethyl-N-(4-methylsulfanylbutan-2-yl)pyrrolidine-2-carboxamide
CID 115976508
3-bromo-N,5-dimethyl-N-(4-methylsulfanylbutan-2-yl)benzamide
CID 113461448
N-methyl-N-(4-methylsulfanylbutan-2-yl)-1,3-thiazole-4-carboxamide
CID 115636242
2-(4-aminopiperidin-1-yl)-N-methyl-N-(4-methylsulfanylbutan-2-yl)acetamide
CID 115740438

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(4-methylsulfanylbutan-2-yl)-2-sulfanylpropanamide?
The IUPAC name of N-methyl-N-(4-methylsulfanylbutan-2-yl)-2-sulfanylpropanamide (CID 107036026) is N-methyl-N-(4-methylsulfanylbutan-2-yl)-2-sulfanylpropanamide.
What is the SMILES notation for N-methyl-N-(4-methylsulfanylbutan-2-yl)-2-sulfanylpropanamide?
The canonical SMILES for N-methyl-N-(4-methylsulfanylbutan-2-yl)-2-sulfanylpropanamide is CSCCC(C)N(C)C(=O)C(C)S.
What is the InChIKey of N-methyl-N-(4-methylsulfanylbutan-2-yl)-2-sulfanylpropanamide?
The InChIKey is CDUPFERGLYKRON-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NOS2/c1-7(5-6-13-4)10(3)9(11)8(2)12/h7-8,12H,5-6H2,1-4H3.
What are the key properties of N-methyl-N-(4-methylsulfanylbutan-2-yl)-2-sulfanylpropanamide?
N-methyl-N-(4-methylsulfanylbutan-2-yl)-2-sulfanylpropanamide has a molecular weight of 221.39 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(4-methylsulfanylbutan-2-yl)-2-sulfanylpropanamide is sourced from PubChem (CID 107036026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).