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

C10H22N2OS — CID 87431586

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

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

N-[4-(dimethylamino)-2-methyl-1-sulfanylpentyl]acetamide (PubChem CID 87431586) has the molecular formula C10H22N2OS and a molecular weight of 218.37 g/mol. Its IUPAC name is N-[4-(dimethylamino)-2-methyl-1-sulfanylpentyl]acetamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)-2-methyl-1-sulfanylpentyl]acetamide
PubChem CID87431586
Molecular FormulaC10H22N2OS
Molecular Weight218.37 g/mol
Exact Mass218.15
IUPAC NameN-[4-(dimethylamino)-2-methyl-1-sulfanylpentyl]acetamide
SMILESCC(=O)NC(S)C(C)CC(C)N(C)C
InChIInChI=1S/C10H22N2OS/c1-7(6-8(2)12(4)5)10(14)11-9(3)13/h7-8,10,14H,6H2,1-5H3,(H,11,13)
InChIKeyQCJRLQQAXUZDCZ-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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Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)-2-methyl-1-sulfanylpentyl]acetamide?
The IUPAC name of N-[4-(dimethylamino)-2-methyl-1-sulfanylpentyl]acetamide (CID 87431586) is N-[4-(dimethylamino)-2-methyl-1-sulfanylpentyl]acetamide.
What is the SMILES notation for N-[4-(dimethylamino)-2-methyl-1-sulfanylpentyl]acetamide?
The canonical SMILES for N-[4-(dimethylamino)-2-methyl-1-sulfanylpentyl]acetamide is CC(=O)NC(S)C(C)CC(C)N(C)C.
What is the InChIKey of N-[4-(dimethylamino)-2-methyl-1-sulfanylpentyl]acetamide?
The InChIKey is QCJRLQQAXUZDCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2OS/c1-7(6-8(2)12(4)5)10(14)11-9(3)13/h7-8,10,14H,6H2,1-5H3,(H,11,13).
What are the key properties of N-[4-(dimethylamino)-2-methyl-1-sulfanylpentyl]acetamide?
N-[4-(dimethylamino)-2-methyl-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-[4-(dimethylamino)-2-methyl-1-sulfanylpentyl]acetamide is sourced from PubChem (CID 87431586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).