N-methyl-N-(4-methylpentyl)-2-sulfanylacetamide

C9H19NOS — CID 115167449

IUPACN-methyl-N-(4-methylpentyl)-2-sulfanylacetamide
SMILESCC(C)CCCN(C)C(=O)CS
InChIInChI=1S/C9H19NOS/c1-8(2)5-4-6-10(3)9(11)7-12/h8,12H,4-7H2,1-3H3
InChIKeyPOIYIENHHORAQM-UHFFFAOYSA-N
MW189.32 g/mol
LogP1.81
Rot. Bonds5

About N-methyl-N-(4-methylpentyl)-2-sulfanylacetamide

N-methyl-N-(4-methylpentyl)-2-sulfanylacetamide (PubChem CID 115167449) has the molecular formula C9H19NOS and a molecular weight of 189.32 g/mol. Its IUPAC name is N-methyl-N-(4-methylpentyl)-2-sulfanylacetamide.

Molecular Properties

Compound NameN-methyl-N-(4-methylpentyl)-2-sulfanylacetamide
PubChem CID115167449
Molecular FormulaC9H19NOS
Molecular Weight189.32 g/mol
Exact Mass189.12
IUPAC NameN-methyl-N-(4-methylpentyl)-2-sulfanylacetamide
SMILESCC(C)CCCN(C)C(=O)CS
InChIInChI=1S/C9H19NOS/c1-8(2)5-4-6-10(3)9(11)7-12/h8,12H,4-7H2,1-3H3
InChIKeyPOIYIENHHORAQM-UHFFFAOYSA-N
XLogP1.81
TPSA20.31 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.32
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-N-[2-[methyl-[2-[methyl(4-methylpentyl)amino]-2-oxoethyl]amino]-2-oxoethyl]-2-[methyl(sulfanylmethyl)amino]acetamide
CID 166733349
3-[methyl(4-methylpentyl)amino]-3-oxopropanoic acid
CID 115163571
N-methyl-N-(4-methylpentyl)acetamide
CID 115191246
2-methyl-4-[methyl(4-methylpentyl)amino]-4-oxobutanoic acid
CID 115165193
3-amino-N,3-dimethyl-N-(4-methylpentyl)butanamide
CID 115155075
N-methyl-N-(4-methylpentyl)-2-(2-oxopropoxy)acetamide
CID 118260688
3-[2-[2-[2-[2-(dimethylamino)ethoxy]ethoxy]ethoxy]ethoxy]-N-methyl-N-(4-methylpentyl)propanamide
CID 167270132
2-amino-3-[methyl(4-methylpentyl)amino]-3-oxopropanoic acid
CID 115179489
N,2-dimethyl-N-(8-methylnonyl)propanamide
CID 161045695
N-methyl-N-(4-methylpentyl)-2-pyrrolidin-3-ylacetamide
CID 115160396
N,N'-dimethyl-2-sulfanyl-N'-(2-sulfanylacetyl)acetohydrazide
CID 11458450
N-(3-aminopropyl)-2-[bis(3-methylbutyl)amino]-N-methylacetamide
CID 107869399

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(4-methylpentyl)-2-sulfanylacetamide?
The IUPAC name of N-methyl-N-(4-methylpentyl)-2-sulfanylacetamide (CID 115167449) is N-methyl-N-(4-methylpentyl)-2-sulfanylacetamide.
What is the SMILES notation for N-methyl-N-(4-methylpentyl)-2-sulfanylacetamide?
The canonical SMILES for N-methyl-N-(4-methylpentyl)-2-sulfanylacetamide is CC(C)CCCN(C)C(=O)CS.
What is the InChIKey of N-methyl-N-(4-methylpentyl)-2-sulfanylacetamide?
The InChIKey is POIYIENHHORAQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NOS/c1-8(2)5-4-6-10(3)9(11)7-12/h8,12H,4-7H2,1-3H3.
What are the key properties of N-methyl-N-(4-methylpentyl)-2-sulfanylacetamide?
N-methyl-N-(4-methylpentyl)-2-sulfanylacetamide has a molecular weight of 189.32 g/mol, XLogP of 1.81, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(4-methylpentyl)-2-sulfanylacetamide is sourced from PubChem (CID 115167449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).