N-methyl-N-[2-methyl-4-(methylamino)-1-sulfanylpentyl]acetamide

C10H22N2OS — CID 88576698

IUPACN-methyl-N-[2-methyl-4-(methylamino)-1-sulfanylpentyl]acetamide
SMILESCNC(C)CC(C)C(S)N(C)C(C)=O
InChIInChI=1S/C10H22N2OS/c1-7(6-8(2)11-4)10(14)12(5)9(3)13/h7-8,10-11,14H,6H2,1-5H3
InChIKeyVAFRCFQDBRGPFU-UHFFFAOYSA-N
MW218.37 g/mol
LogP1.35
Rot. Bonds5

About N-methyl-N-[2-methyl-4-(methylamino)-1-sulfanylpentyl]acetamide

N-methyl-N-[2-methyl-4-(methylamino)-1-sulfanylpentyl]acetamide (PubChem CID 88576698) has the molecular formula C10H22N2OS and a molecular weight of 218.37 g/mol. Its IUPAC name is N-methyl-N-[2-methyl-4-(methylamino)-1-sulfanylpentyl]acetamide.

Molecular Properties

Compound NameN-methyl-N-[2-methyl-4-(methylamino)-1-sulfanylpentyl]acetamide
PubChem CID88576698
Molecular FormulaC10H22N2OS
Molecular Weight218.37 g/mol
Exact Mass218.15
IUPAC NameN-methyl-N-[2-methyl-4-(methylamino)-1-sulfanylpentyl]acetamide
SMILESCNC(C)CC(C)C(S)N(C)C(C)=O
InChIInChI=1S/C10H22N2OS/c1-7(6-8(2)11-4)10(14)12(5)9(3)13/h7-8,10-11,14H,6H2,1-5H3
InChIKeyVAFRCFQDBRGPFU-UHFFFAOYSA-N
XLogP1.35
TPSA32.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.37
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

Leucinamide, N-(2-mercaptoethyl)-, hydrobromide
CID 3078312
N-[(3S)-2,4-dimethyl-1-sulfanylpentan-3-yl]-2,2,2-trifluoroacetamide
CID 167213708
N-[(2S)-4-methyl-1-sulfanylpentan-2-yl]acetamide
CID 16724647
(2S)-2-amino-4-methyl-N-(2-sulfanylethyl)pentanamide
CID 3078313
2-amino-4-methyl-N-(2-sulfanylethyl)pentanamide
CID 3078305
N-cyclohexyl-2-methyl-3-sulfanylpropanamide
CID 13558903
N-[2-(dimethylamino)propyl]-4-sulfanyl-2-(sulfanylmethyl)butanamide
CID 23104516
N-ethyl-5-sulfanyl-2-(sulfanylmethyl)pentanamide
CID 23104534
N-[2-(dimethylamino)propyl]-5-sulfanyl-2-(sulfanylmethyl)pentanamide
CID 23104542
N-[2-(dimethylamino)ethyl]-5-sulfanyl-2-(sulfanylmethyl)pentanamide
CID 23104560
N-[2-(dimethylamino)propyl]-6-sulfanyl-2-(sulfanylmethyl)hexanamide
CID 23104571
N-[2-(dimethylamino)propyl]-3-sulfanyl-2-(sulfanylmethyl)butanamide
CID 23104576

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-methyl-4-(methylamino)-1-sulfanylpentyl]acetamide?
The IUPAC name of N-methyl-N-[2-methyl-4-(methylamino)-1-sulfanylpentyl]acetamide (CID 88576698) is N-methyl-N-[2-methyl-4-(methylamino)-1-sulfanylpentyl]acetamide.
What is the SMILES notation for N-methyl-N-[2-methyl-4-(methylamino)-1-sulfanylpentyl]acetamide?
The canonical SMILES for N-methyl-N-[2-methyl-4-(methylamino)-1-sulfanylpentyl]acetamide is CNC(C)CC(C)C(S)N(C)C(C)=O.
What is the InChIKey of N-methyl-N-[2-methyl-4-(methylamino)-1-sulfanylpentyl]acetamide?
The InChIKey is VAFRCFQDBRGPFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2OS/c1-7(6-8(2)11-4)10(14)12(5)9(3)13/h7-8,10-11,14H,6H2,1-5H3.
What are the key properties of N-methyl-N-[2-methyl-4-(methylamino)-1-sulfanylpentyl]acetamide?
N-methyl-N-[2-methyl-4-(methylamino)-1-sulfanylpentyl]acetamide has a molecular weight of 218.37 g/mol, XLogP of 1.35, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-methyl-4-(methylamino)-1-sulfanylpentyl]acetamide is sourced from PubChem (CID 88576698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).