N-(oxolan-3-ylidene)butane-2-sulfinamide

C8H15NO2S — CID 151286707

IUPACN-(oxolan-3-ylidene)butane-2-sulfinamide
SMILESCCC(C)S(=O)N=C1CCOC1
InChIInChI=1S/C8H15NO2S/c1-3-7(2)12(10)9-8-4-5-11-6-8/h7H,3-6H2,1-2H3
InChIKeyNZNVOJYLDBAWTE-UHFFFAOYSA-N
MW189.28 g/mol
LogP1.31
Rot. Bonds3

About N-(oxolan-3-ylidene)butane-2-sulfinamide

N-(oxolan-3-ylidene)butane-2-sulfinamide (PubChem CID 151286707) has the molecular formula C8H15NO2S and a molecular weight of 189.28 g/mol. Its IUPAC name is N-(oxolan-3-ylidene)butane-2-sulfinamide.

Molecular Properties

Compound NameN-(oxolan-3-ylidene)butane-2-sulfinamide
PubChem CID151286707
Molecular FormulaC8H15NO2S
Molecular Weight189.28 g/mol
Exact Mass189.08
IUPAC NameN-(oxolan-3-ylidene)butane-2-sulfinamide
SMILESCCC(C)S(=O)N=C1CCOC1
InChIInChI=1S/C8H15NO2S/c1-3-7(2)12(10)9-8-4-5-11-6-8/h7H,3-6H2,1-2H3
InChIKeyNZNVOJYLDBAWTE-UHFFFAOYSA-N
XLogP1.31
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.28
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-methyl-N-(oxolan-3-ylidene)propanamide
CID 171523150
N-ethoxyoxan-4-imine
CID 90826046
[(E)-oxolan-3-ylideneamino]carbamic acid
CID 87368691
(oxolan-3-ylideneamino)urea
CID 77013743
butane-2-sulfinic acid
CID 12672761
zinc bis(butane-2-sulfinate)
CID 88826639
(2S)-2-tert-butylsulfinylbutane
CID 89078244
2-butan-2-ylsulfinyl-1-(oxolan-3-yl)ethanamine
CID 104754510
(oxolan-3-ylideneamino)thiourea
CID 77060273
3-methylideneoxolane
CID 11815817
N-ethyl-1-(2-methyloxolan-3-yl)sulfinylbutan-2-amine
CID 107758395
(3Z)-3-ethylideneoxan-4-one
CID 164643553

Frequently Asked Questions

What is the IUPAC name of N-(oxolan-3-ylidene)butane-2-sulfinamide?
The IUPAC name of N-(oxolan-3-ylidene)butane-2-sulfinamide (CID 151286707) is N-(oxolan-3-ylidene)butane-2-sulfinamide.
What is the SMILES notation for N-(oxolan-3-ylidene)butane-2-sulfinamide?
The canonical SMILES for N-(oxolan-3-ylidene)butane-2-sulfinamide is CCC(C)S(=O)N=C1CCOC1.
What is the InChIKey of N-(oxolan-3-ylidene)butane-2-sulfinamide?
The InChIKey is NZNVOJYLDBAWTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2S/c1-3-7(2)12(10)9-8-4-5-11-6-8/h7H,3-6H2,1-2H3.
What are the key properties of N-(oxolan-3-ylidene)butane-2-sulfinamide?
N-(oxolan-3-ylidene)butane-2-sulfinamide has a molecular weight of 189.28 g/mol, XLogP of 1.31, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-3-ylidene)butane-2-sulfinamide is sourced from PubChem (CID 151286707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).