N-[(1S)-1-(oxan-4-yl)ethyl]butane-2-sulfinamide

C11H23NO2S — CID 141285794

IUPACN-[(1S)-1-(oxan-4-yl)ethyl]butane-2-sulfinamide
SMILESCCC(C)S(=O)N[C@@H](C)C1CCOCC1
InChIInChI=1S/C11H23NO2S/c1-4-9(2)15(13)12-10(3)11-5-7-14-8-6-11/h9-12H,4-8H2,1-3H3/t9?,10-,15?/m0/s1
InChIKeySPBCBEKZUVCKNU-VOZQYIJBSA-N
MW233.38 g/mol
LogP1.85
Rot. Bonds5

About N-[(1S)-1-(oxan-4-yl)ethyl]butane-2-sulfinamide

N-[(1S)-1-(oxan-4-yl)ethyl]butane-2-sulfinamide (PubChem CID 141285794) has the molecular formula C11H23NO2S and a molecular weight of 233.38 g/mol. Its IUPAC name is N-[(1S)-1-(oxan-4-yl)ethyl]butane-2-sulfinamide.

Molecular Properties

Compound NameN-[(1S)-1-(oxan-4-yl)ethyl]butane-2-sulfinamide
PubChem CID141285794
Molecular FormulaC11H23NO2S
Molecular Weight233.38 g/mol
Exact Mass233.14
IUPAC NameN-[(1S)-1-(oxan-4-yl)ethyl]butane-2-sulfinamide
SMILESCCC(C)S(=O)N[C@@H](C)C1CCOCC1
InChIInChI=1S/C11H23NO2S/c1-4-9(2)15(13)12-10(3)11-5-7-14-8-6-11/h9-12H,4-8H2,1-3H3/t9?,10-,15?/m0/s1
InChIKeySPBCBEKZUVCKNU-VOZQYIJBSA-N
XLogP1.85
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.38
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-Amino-2-(oxan-4-yl)ethane-1-sulfonyl fluoride
CID 165604946
2-methyl-N-[(1R)-1-(oxan-4-yl)ethyl]propane-2-sulfinamide
CID 67033559
(S)-2-methyl-N-[2-(oxan-4-yl)ethyl]propane-2-sulfinamide
CID 67033561
2-methyl-N-[2-(oxan-4-yl)ethyl]propane-2-sulfinamide
CID 67033563
2-methyl-N-[(1S)-1-(oxan-4-yl)ethyl]propane-2-sulfinamide
CID 67033650
(R)-2-methyl-N-[2-(oxan-4-yl)ethyl]propane-2-sulfinamide
CID 67033652
(S)-2-methyl-N-((R)-1-(tetrahydro-2H-pyran-4-yl)ethyl)propane-2-sulfinamide
CID 67034308
(R)-2-methyl-N-((S)-1-(tetrahydro-2H-pyran-4-yl)ethyl)propane-2-sulfinamide
CID 67221812
2-methyl-N-[1-(oxan-4-yl)ethyl]propane-2-sulfinamide
CID 77242937
(R)-2-methyl-N-(1-(tetrahydro-2H-pyran-4-yl)ethyl)Propane-2-sulfinamide
CID 89739114
(S)-2-methyl-N-[1-(oxan-4-yl)ethyl]propane-2-sulfinamide
CID 122625775
2-methyl-N-[1-(oxan-4-yl)propyl]propane-2-sulfinamide
CID 138706841

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(oxan-4-yl)ethyl]butane-2-sulfinamide?
The IUPAC name of N-[(1S)-1-(oxan-4-yl)ethyl]butane-2-sulfinamide (CID 141285794) is N-[(1S)-1-(oxan-4-yl)ethyl]butane-2-sulfinamide.
What is the SMILES notation for N-[(1S)-1-(oxan-4-yl)ethyl]butane-2-sulfinamide?
The canonical SMILES for N-[(1S)-1-(oxan-4-yl)ethyl]butane-2-sulfinamide is CCC(C)S(=O)N[C@@H](C)C1CCOCC1.
What is the InChIKey of N-[(1S)-1-(oxan-4-yl)ethyl]butane-2-sulfinamide?
The InChIKey is SPBCBEKZUVCKNU-VOZQYIJBSA-N. The full InChI is InChI=1S/C11H23NO2S/c1-4-9(2)15(13)12-10(3)11-5-7-14-8-6-11/h9-12H,4-8H2,1-3H3/t9?,10-,15?/m0/s1.
What are the key properties of N-[(1S)-1-(oxan-4-yl)ethyl]butane-2-sulfinamide?
N-[(1S)-1-(oxan-4-yl)ethyl]butane-2-sulfinamide has a molecular weight of 233.38 g/mol, XLogP of 1.85, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(oxan-4-yl)ethyl]butane-2-sulfinamide is sourced from PubChem (CID 141285794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).