N-(4-amino-4-sulfanylidenebutyl)oxolane-3-carboxamide

C9H16N2O2S — CID 62668088

IUPACN-(4-amino-4-sulfanylidenebutyl)oxolane-3-carboxamide
SMILESNC(=S)CCCNC(=O)C1CCOC1
InChIInChI=1S/C9H16N2O2S/c10-8(14)2-1-4-11-9(12)7-3-5-13-6-7/h7H,1-6H2,(H2,10,14)(H,11,12)
InChIKeyWPZZMMZIEDBYIH-UHFFFAOYSA-N
MW216.31 g/mol
LogP0.21
Rot. Bonds5

About N-(4-amino-4-sulfanylidenebutyl)oxolane-3-carboxamide

N-(4-amino-4-sulfanylidenebutyl)oxolane-3-carboxamide (PubChem CID 62668088) has the molecular formula C9H16N2O2S and a molecular weight of 216.31 g/mol. Its IUPAC name is N-(4-amino-4-sulfanylidenebutyl)oxolane-3-carboxamide.

Molecular Properties

Compound NameN-(4-amino-4-sulfanylidenebutyl)oxolane-3-carboxamide
PubChem CID62668088
Molecular FormulaC9H16N2O2S
Molecular Weight216.31 g/mol
Exact Mass216.09
IUPAC NameN-(4-amino-4-sulfanylidenebutyl)oxolane-3-carboxamide
SMILESNC(=S)CCCNC(=O)C1CCOC1
InChIInChI=1S/C9H16N2O2S/c10-8(14)2-1-4-11-9(12)7-3-5-13-6-7/h7H,1-6H2,(H2,10,14)(H,11,12)
InChIKeyWPZZMMZIEDBYIH-UHFFFAOYSA-N
XLogP0.21
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.31
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

N-(3-amino-3-sulfanylidenepropyl)oxane-3-carboxamide
CID 63014889
N-(2-amino-2-sulfanylideneethyl)oxolane-3-carboxamide
CID 61276568
N-(4-iodobutyl)oxane-3-carboxamide
CID 106846215
N-(4-bromobutyl)oxolane-3-carboxamide
CID 106845774
N-(2-sulfamoylethyl)oxolane-3-carboxamide
CID 61277309
2-methyl-5-(oxolane-3-carbonylamino)pentanoic acid
CID 104682491
N-(5-amino-4-methylpentyl)oxane-3-carboxamide
CID 106153124
N-(3-cyclohexyloxypropyl)oxolane-3-carboxamide
CID 86850695
N-(4-amino-4-sulfanylidenebutan-2-yl)oxolane-3-carboxamide
CID 62093159
N-(3-amino-3-sulfanylidenepropyl)cyclohexanecarboxamide
CID 62665924
N-(3-bromobutyl)oxolane-3-carboxamide
CID 114312616
4-(oxan-4-ylsulfonylamino)butanethioamide
CID 62666040

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-4-sulfanylidenebutyl)oxolane-3-carboxamide?
The IUPAC name of N-(4-amino-4-sulfanylidenebutyl)oxolane-3-carboxamide (CID 62668088) is N-(4-amino-4-sulfanylidenebutyl)oxolane-3-carboxamide.
What is the SMILES notation for N-(4-amino-4-sulfanylidenebutyl)oxolane-3-carboxamide?
The canonical SMILES for N-(4-amino-4-sulfanylidenebutyl)oxolane-3-carboxamide is NC(=S)CCCNC(=O)C1CCOC1.
What is the InChIKey of N-(4-amino-4-sulfanylidenebutyl)oxolane-3-carboxamide?
The InChIKey is WPZZMMZIEDBYIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2S/c10-8(14)2-1-4-11-9(12)7-3-5-13-6-7/h7H,1-6H2,(H2,10,14)(H,11,12).
What are the key properties of N-(4-amino-4-sulfanylidenebutyl)oxolane-3-carboxamide?
N-(4-amino-4-sulfanylidenebutyl)oxolane-3-carboxamide has a molecular weight of 216.31 g/mol, XLogP of 0.21, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-4-sulfanylidenebutyl)oxolane-3-carboxamide is sourced from PubChem (CID 62668088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).