2-acetamido-N-[(4S)-4-sulfanylpentyl]acetamide

C9H18N2O2S — CID 175617382

IUPAC2-acetamido-N-[(4S)-4-sulfanylpentyl]acetamide
SMILESCC(=O)NCC(=O)NCCC[C@H](C)S
InChIInChI=1S/C9H18N2O2S/c1-7(14)4-3-5-10-9(13)6-11-8(2)12/h7,14H,3-6H2,1-2H3,(H,10,13)(H,11,12)/t7-/m0/s1
InChIKeySTSBQXPKMJVUGL-ZETCQYMHSA-N
MW218.32 g/mol
LogP0.34
Rot. Bonds6

About 2-acetamido-N-[(4S)-4-sulfanylpentyl]acetamide

2-acetamido-N-[(4S)-4-sulfanylpentyl]acetamide (PubChem CID 175617382) has the molecular formula C9H18N2O2S and a molecular weight of 218.32 g/mol. Its IUPAC name is 2-acetamido-N-[(4S)-4-sulfanylpentyl]acetamide.

Molecular Properties

Compound Name2-acetamido-N-[(4S)-4-sulfanylpentyl]acetamide
PubChem CID175617382
Molecular FormulaC9H18N2O2S
Molecular Weight218.32 g/mol
Exact Mass218.11
IUPAC Name2-acetamido-N-[(4S)-4-sulfanylpentyl]acetamide
SMILESCC(=O)NCC(=O)NCCC[C@H](C)S
InChIInChI=1S/C9H18N2O2S/c1-7(14)4-3-5-10-9(13)6-11-8(2)12/h7,14H,3-6H2,1-2H3,(H,10,13)(H,11,12)/t7-/m0/s1
InChIKeySTSBQXPKMJVUGL-ZETCQYMHSA-N
XLogP0.34
TPSA58.20 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.32
LogP ≤ 50.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[2-[2-[2-(4-sulfanylpentoxy)ethoxy]ethoxy]ethoxy]ethyl]acetamide
CID 156794689
6-[(2-acetamidoacetyl)amino]hexanoic acid
CID 24693828
2-acetamido-N-(3-trimethoxysilylpropyl)acetamide
CID 87064791
2-acetamido-N-[2-(ethylamino)ethyl]acetamide
CID 62657470
6-acetamido-N-(4-hydroxypentyl)hexanamide
CID 107300079
(2S)-2-[(2-acetamidoacetyl)amino]-5-(carbamoylamino)pentanoic acid
CID 175894860
N-(5-aminopentyl)-N'-(3-sulfanylbutyl)butanediamide
CID 155107995
methyl 5-[(2-acetamidoacetyl)amino]-3-oxopentanoate
CID 102351837
N-(5-bromo-4-methylpentyl)acetamide
CID 106157555
N-(3-acetamidopropyl)acetamide
CID 5147555
4-[[2-(4-methylpentanoylamino)acetyl]amino]butanoic acid
CID 119171039
N-(4-methylpentyl)propanamide
CID 54140551

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-[(4S)-4-sulfanylpentyl]acetamide?
The IUPAC name of 2-acetamido-N-[(4S)-4-sulfanylpentyl]acetamide (CID 175617382) is 2-acetamido-N-[(4S)-4-sulfanylpentyl]acetamide.
What is the SMILES notation for 2-acetamido-N-[(4S)-4-sulfanylpentyl]acetamide?
The canonical SMILES for 2-acetamido-N-[(4S)-4-sulfanylpentyl]acetamide is CC(=O)NCC(=O)NCCC[C@H](C)S.
What is the InChIKey of 2-acetamido-N-[(4S)-4-sulfanylpentyl]acetamide?
The InChIKey is STSBQXPKMJVUGL-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H18N2O2S/c1-7(14)4-3-5-10-9(13)6-11-8(2)12/h7,14H,3-6H2,1-2H3,(H,10,13)(H,11,12)/t7-/m0/s1.
What are the key properties of 2-acetamido-N-[(4S)-4-sulfanylpentyl]acetamide?
2-acetamido-N-[(4S)-4-sulfanylpentyl]acetamide has a molecular weight of 218.32 g/mol, XLogP of 0.34, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-[(4S)-4-sulfanylpentyl]acetamide is sourced from PubChem (CID 175617382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).