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

C9H15NOS2 — CID 178138058

IUPAC(R)-N-[(1R)-1-(6-methyl-4H-thiopyran-2-yl)ethyl]methanesulfinamide
SMILESCC1=CCC=C([C@@H](C)N[S@@](C)=O)S1
InChIInChI=1S/C9H15NOS2/c1-7-5-4-6-9(12-7)8(2)10-13(3)11/h5-6,8,10H,4H2,1-3H3/t8-,13-/m1/s1
InChIKeyNOKTXZMEWIOLPN-AMIZOPFISA-N
MW217.36 g/mol
LogP2.18
Rot. Bonds3

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

(R)-N-[(1R)-1-(6-methyl-4H-thiopyran-2-yl)ethyl]methanesulfinamide (PubChem CID 178138058) has the molecular formula C9H15NOS2 and a molecular weight of 217.36 g/mol. Its IUPAC name is (R)-N-[(1R)-1-(6-methyl-4H-thiopyran-2-yl)ethyl]methanesulfinamide.

Molecular Properties

Compound Name(R)-N-[(1R)-1-(6-methyl-4H-thiopyran-2-yl)ethyl]methanesulfinamide
PubChem CID178138058
Molecular FormulaC9H15NOS2
Molecular Weight217.36 g/mol
Exact Mass217.06
IUPAC Name(R)-N-[(1R)-1-(6-methyl-4H-thiopyran-2-yl)ethyl]methanesulfinamide
SMILESCC1=CCC=C([C@@H](C)N[S@@](C)=O)S1
InChIInChI=1S/C9H15NOS2/c1-7-5-4-6-9(12-7)8(2)10-13(3)11/h5-6,8,10H,4H2,1-3H3/t8-,13-/m1/s1
InChIKeyNOKTXZMEWIOLPN-AMIZOPFISA-N
XLogP2.18
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.36
LogP ≤ 52.18
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
(R)-N-[(1R)-1-(6-methyl-4H-thiopyran-2-yl)ethyl]methanesulfinamide;molecular hydrogen
CID 178138057
N-[3-[(Z)-hex-2-en-2-yl]sulfanylbut-3-en-2-yl]methanesulfinamide
CID 178138549

Frequently Asked Questions

What is the IUPAC name of (R)-N-[(1R)-1-(6-methyl-4H-thiopyran-2-yl)ethyl]methanesulfinamide?
The IUPAC name of (R)-N-[(1R)-1-(6-methyl-4H-thiopyran-2-yl)ethyl]methanesulfinamide (CID 178138058) is (R)-N-[(1R)-1-(6-methyl-4H-thiopyran-2-yl)ethyl]methanesulfinamide.
What is the SMILES notation for (R)-N-[(1R)-1-(6-methyl-4H-thiopyran-2-yl)ethyl]methanesulfinamide?
The canonical SMILES for (R)-N-[(1R)-1-(6-methyl-4H-thiopyran-2-yl)ethyl]methanesulfinamide is CC1=CCC=C([C@@H](C)N[S@@](C)=O)S1.
What is the InChIKey of (R)-N-[(1R)-1-(6-methyl-4H-thiopyran-2-yl)ethyl]methanesulfinamide?
The InChIKey is NOKTXZMEWIOLPN-AMIZOPFISA-N. The full InChI is InChI=1S/C9H15NOS2/c1-7-5-4-6-9(12-7)8(2)10-13(3)11/h5-6,8,10H,4H2,1-3H3/t8-,13-/m1/s1.
What are the key properties of (R)-N-[(1R)-1-(6-methyl-4H-thiopyran-2-yl)ethyl]methanesulfinamide?
(R)-N-[(1R)-1-(6-methyl-4H-thiopyran-2-yl)ethyl]methanesulfinamide has a molecular weight of 217.36 g/mol, XLogP of 2.18, 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 is sourced from PubChem (CID 178138058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).