N-(1-amino-1-sulfanylidenepentan-3-yl)hexanamide

C11H22N2OS — CID 62651450

IUPACN-(1-amino-1-sulfanylidenepentan-3-yl)hexanamide
SMILESCCCCCC(=O)NC(CC)CC(N)=S
InChIInChI=1S/C11H22N2OS/c1-3-5-6-7-11(14)13-9(4-2)8-10(12)15/h9H,3-8H2,1-2H3,(H2,12,15)(H,13,14)
InChIKeyZPMKZYAOIAVRRH-UHFFFAOYSA-N
MW230.38 g/mol
LogP2.14
Rot. Bonds8

About N-(1-amino-1-sulfanylidenepentan-3-yl)hexanamide

N-(1-amino-1-sulfanylidenepentan-3-yl)hexanamide (PubChem CID 62651450) has the molecular formula C11H22N2OS and a molecular weight of 230.38 g/mol. Its IUPAC name is N-(1-amino-1-sulfanylidenepentan-3-yl)hexanamide.

Molecular Properties

Compound NameN-(1-amino-1-sulfanylidenepentan-3-yl)hexanamide
PubChem CID62651450
Molecular FormulaC11H22N2OS
Molecular Weight230.38 g/mol
Exact Mass230.15
IUPAC NameN-(1-amino-1-sulfanylidenepentan-3-yl)hexanamide
SMILESCCCCCC(=O)NC(CC)CC(N)=S
InChIInChI=1S/C11H22N2OS/c1-3-5-6-7-11(14)13-9(4-2)8-10(12)15/h9H,3-8H2,1-2H3,(H2,12,15)(H,13,14)
InChIKeyZPMKZYAOIAVRRH-UHFFFAOYSA-N
XLogP2.14
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.38
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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N-(1-aminopentan-3-yl)hexanamide
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N-(1-amino-1-sulfanylidenepentan-3-yl)-2-ethylhexanamide
CID 62651275
N-(1-amino-1-sulfanylidenepropan-2-yl)dodecanamide
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N'-octan-3-ylbutanediamide
CID 82041118
N-(1-amino-1-sulfanylidenepropan-2-yl)heptanamide
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N-[1-(octanoylamino)propyl]octanamide
CID 175099053
N-(1-amino-1-sulfanylidenepentan-3-yl)-2-[(2-methylpropan-2-yl)oxy]acetamide
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Frequently Asked Questions

What is the IUPAC name of N-(1-amino-1-sulfanylidenepentan-3-yl)hexanamide?
The IUPAC name of N-(1-amino-1-sulfanylidenepentan-3-yl)hexanamide (CID 62651450) is N-(1-amino-1-sulfanylidenepentan-3-yl)hexanamide.
What is the SMILES notation for N-(1-amino-1-sulfanylidenepentan-3-yl)hexanamide?
The canonical SMILES for N-(1-amino-1-sulfanylidenepentan-3-yl)hexanamide is CCCCCC(=O)NC(CC)CC(N)=S.
What is the InChIKey of N-(1-amino-1-sulfanylidenepentan-3-yl)hexanamide?
The InChIKey is ZPMKZYAOIAVRRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2OS/c1-3-5-6-7-11(14)13-9(4-2)8-10(12)15/h9H,3-8H2,1-2H3,(H2,12,15)(H,13,14).
What are the key properties of N-(1-amino-1-sulfanylidenepentan-3-yl)hexanamide?
N-(1-amino-1-sulfanylidenepentan-3-yl)hexanamide has a molecular weight of 230.38 g/mol, XLogP of 2.14, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-1-sulfanylidenepentan-3-yl)hexanamide is sourced from PubChem (CID 62651450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).