N-cyclobutyl-2-(decylsulfanylamino)-2-sulfanylideneacetamide

C16H30N2OS2 — CID 88757015

IUPACN-cyclobutyl-2-(decylsulfanylamino)-2-sulfanylideneacetamide
SMILESCCCCCCCCCCSNC(=S)C(=O)NC1CCC1
InChIInChI=1S/C16H30N2OS2/c1-2-3-4-5-6-7-8-9-13-21-18-16(20)15(19)17-14-11-10-12-14/h14H,2-13H2,1H3,(H,17,19)(H,18,20)
InChIKeyDTMHDGVGWUEKLB-UHFFFAOYSA-N
MW330.56 g/mol
LogP4.36
Rot. Bonds11

About N-cyclobutyl-2-(decylsulfanylamino)-2-sulfanylideneacetamide

N-cyclobutyl-2-(decylsulfanylamino)-2-sulfanylideneacetamide (PubChem CID 88757015) has the molecular formula C16H30N2OS2 and a molecular weight of 330.56 g/mol. Its IUPAC name is N-cyclobutyl-2-(decylsulfanylamino)-2-sulfanylideneacetamide.

Molecular Properties

Compound NameN-cyclobutyl-2-(decylsulfanylamino)-2-sulfanylideneacetamide
PubChem CID88757015
Molecular FormulaC16H30N2OS2
Molecular Weight330.56 g/mol
Exact Mass330.18
IUPAC NameN-cyclobutyl-2-(decylsulfanylamino)-2-sulfanylideneacetamide
SMILESCCCCCCCCCCSNC(=S)C(=O)NC1CCC1
InChIInChI=1S/C16H30N2OS2/c1-2-3-4-5-6-7-8-9-13-21-18-16(20)15(19)17-14-11-10-12-14/h14H,2-13H2,1H3,(H,17,19)(H,18,20)
InChIKeyDTMHDGVGWUEKLB-UHFFFAOYSA-N
XLogP4.36
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.56
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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N-cyclohexylheptanethioamide
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1-cyclopentyl-3-heptylthiourea
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N-cycloheptyl-2-(cyclopentylamino)-2-sulfanylideneacetamide
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Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-2-(decylsulfanylamino)-2-sulfanylideneacetamide?
The IUPAC name of N-cyclobutyl-2-(decylsulfanylamino)-2-sulfanylideneacetamide (CID 88757015) is N-cyclobutyl-2-(decylsulfanylamino)-2-sulfanylideneacetamide.
What is the SMILES notation for N-cyclobutyl-2-(decylsulfanylamino)-2-sulfanylideneacetamide?
The canonical SMILES for N-cyclobutyl-2-(decylsulfanylamino)-2-sulfanylideneacetamide is CCCCCCCCCCSNC(=S)C(=O)NC1CCC1.
What is the InChIKey of N-cyclobutyl-2-(decylsulfanylamino)-2-sulfanylideneacetamide?
The InChIKey is DTMHDGVGWUEKLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2OS2/c1-2-3-4-5-6-7-8-9-13-21-18-16(20)15(19)17-14-11-10-12-14/h14H,2-13H2,1H3,(H,17,19)(H,18,20).
What are the key properties of N-cyclobutyl-2-(decylsulfanylamino)-2-sulfanylideneacetamide?
N-cyclobutyl-2-(decylsulfanylamino)-2-sulfanylideneacetamide has a molecular weight of 330.56 g/mol, XLogP of 4.36, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-2-(decylsulfanylamino)-2-sulfanylideneacetamide is sourced from PubChem (CID 88757015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).