(R)-N-[(1R)-1-(6-methyl-4H-thiopyran-2-yl)ethyl]methanesulfinamide;molecular hydrogen

C9H17NOS2 — CID 178138057

IUPAC(R)-N-[(1R)-1-(6-methyl-4H-thiopyran-2-yl)ethyl]methanesulfinamide;molecular hydrogen
SMILESCC1=CCC=C([C@@H](C)N[S@@](C)=O)S1.[H][H]
InChIInChI=1S/C9H15NOS2.H2/c1-7-5-4-6-9(12-7)8(2)10-13(3)11;/h5-6,8,10H,4H2,1-3H3;1H/t8-,13-;/m1./s1
InChIKeyQAIHBDZULFDGPT-DICUIYPSSA-N
MW219.38 g/mol
LogP2.43
Rot. Bonds3

About (R)-N-[(1R)-1-(6-methyl-4H-thiopyran-2-yl)ethyl]methanesulfinamide;molecular hydrogen

(R)-N-[(1R)-1-(6-methyl-4H-thiopyran-2-yl)ethyl]methanesulfinamide;molecular hydrogen (PubChem CID 178138057) has the molecular formula C9H17NOS2 and a molecular weight of 219.38 g/mol. Its IUPAC name is (R)-N-[(1R)-1-(6-methyl-4H-thiopyran-2-yl)ethyl]methanesulfinamide;molecular hydrogen.

Molecular Properties

Compound Name(R)-N-[(1R)-1-(6-methyl-4H-thiopyran-2-yl)ethyl]methanesulfinamide;molecular hydrogen
PubChem CID178138057
Molecular FormulaC9H17NOS2
Molecular Weight219.38 g/mol
Exact Mass219.08
IUPAC Name(R)-N-[(1R)-1-(6-methyl-4H-thiopyran-2-yl)ethyl]methanesulfinamide;molecular hydrogen
SMILESCC1=CCC=C([C@@H](C)N[S@@](C)=O)S1.[H][H]
InChIInChI=1S/C9H15NOS2.H2/c1-7-5-4-6-9(12-7)8(2)10-13(3)11;/h5-6,8,10H,4H2,1-3H3;1H/t8-,13-;/m1./s1
InChIKeyQAIHBDZULFDGPT-DICUIYPSSA-N
XLogP2.43
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.38
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(2,5-dihydrothiophen-3-yl)ethyl]-2-methylpropane-2-sulfinamide
CID 90853738
(E)-4-ethylsulfanylhex-3-en-2-amine
CID 145603943
N-[3-[(Z)-hex-2-en-2-yl]sulfanylbut-3-en-2-yl]methanesulfinamide
CID 178138549
(R)-N-[(1R)-1-(6-methyl-4H-thiopyran-2-yl)ethyl]methanesulfinamide
CID 178138058

Frequently Asked Questions

What is the IUPAC name of (R)-N-[(1R)-1-(6-methyl-4H-thiopyran-2-yl)ethyl]methanesulfinamide;molecular hydrogen?
The IUPAC name of (R)-N-[(1R)-1-(6-methyl-4H-thiopyran-2-yl)ethyl]methanesulfinamide;molecular hydrogen (CID 178138057) is (R)-N-[(1R)-1-(6-methyl-4H-thiopyran-2-yl)ethyl]methanesulfinamide;molecular hydrogen.
What is the SMILES notation for (R)-N-[(1R)-1-(6-methyl-4H-thiopyran-2-yl)ethyl]methanesulfinamide;molecular hydrogen?
The canonical SMILES for (R)-N-[(1R)-1-(6-methyl-4H-thiopyran-2-yl)ethyl]methanesulfinamide;molecular hydrogen is CC1=CCC=C([C@@H](C)N[S@@](C)=O)S1.[H][H].
What is the InChIKey of (R)-N-[(1R)-1-(6-methyl-4H-thiopyran-2-yl)ethyl]methanesulfinamide;molecular hydrogen?
The InChIKey is QAIHBDZULFDGPT-DICUIYPSSA-N. The full InChI is InChI=1S/C9H15NOS2.H2/c1-7-5-4-6-9(12-7)8(2)10-13(3)11;/h5-6,8,10H,4H2,1-3H3;1H/t8-,13-;/m1./s1.
What are the key properties of (R)-N-[(1R)-1-(6-methyl-4H-thiopyran-2-yl)ethyl]methanesulfinamide;molecular hydrogen?
(R)-N-[(1R)-1-(6-methyl-4H-thiopyran-2-yl)ethyl]methanesulfinamide;molecular hydrogen has a molecular weight of 219.38 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-N-[(1R)-1-(6-methyl-4H-thiopyran-2-yl)ethyl]methanesulfinamide;molecular hydrogen is sourced from PubChem (CID 178138057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).