N-[3-[(Z)-hex-2-en-2-yl]sulfanylbut-3-en-2-yl]methanesulfinamide

C11H21NOS2 — CID 178138549

IUPACN-[3-[(Z)-hex-2-en-2-yl]sulfanylbut-3-en-2-yl]methanesulfinamide
SMILESC=C(S/C(C)=C\CCC)C(C)NS(C)=O
InChIInChI=1S/C11H21NOS2/c1-6-7-8-9(2)14-11(4)10(3)12-15(5)13/h8,10,12H,4,6-7H2,1-3,5H3/b9-8-
InChIKeyNDAWHJFRWDDFKY-HJWRWDBZSA-N
MW247.43 g/mol
LogP3.21
Rot. Bonds7

About N-[3-[(Z)-hex-2-en-2-yl]sulfanylbut-3-en-2-yl]methanesulfinamide

N-[3-[(Z)-hex-2-en-2-yl]sulfanylbut-3-en-2-yl]methanesulfinamide (PubChem CID 178138549) has the molecular formula C11H21NOS2 and a molecular weight of 247.43 g/mol. Its IUPAC name is N-[3-[(Z)-hex-2-en-2-yl]sulfanylbut-3-en-2-yl]methanesulfinamide.

Molecular Properties

Compound NameN-[3-[(Z)-hex-2-en-2-yl]sulfanylbut-3-en-2-yl]methanesulfinamide
PubChem CID178138549
Molecular FormulaC11H21NOS2
Molecular Weight247.43 g/mol
Exact Mass247.11
IUPAC NameN-[3-[(Z)-hex-2-en-2-yl]sulfanylbut-3-en-2-yl]methanesulfinamide
SMILESC=C(S/C(C)=C\CCC)C(C)NS(C)=O
InChIInChI=1S/C11H21NOS2/c1-6-7-8-9(2)14-11(4)10(3)12-15(5)13/h8,10,12H,4,6-7H2,1-3,5H3/b9-8-
InChIKeyNDAWHJFRWDDFKY-HJWRWDBZSA-N
XLogP3.21
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.43
LogP ≤ 53.21
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
(R)-N-[(1R)-1-(6-methyl-4H-thiopyran-2-yl)ethyl]methanesulfinamide;molecular hydrogen
CID 178138057
(R)-N-[(1R)-1-(6-methyl-4H-thiopyran-2-yl)ethyl]methanesulfinamide
CID 178138058

Frequently Asked Questions

What is the IUPAC name of N-[3-[(Z)-hex-2-en-2-yl]sulfanylbut-3-en-2-yl]methanesulfinamide?
The IUPAC name of N-[3-[(Z)-hex-2-en-2-yl]sulfanylbut-3-en-2-yl]methanesulfinamide (CID 178138549) is N-[3-[(Z)-hex-2-en-2-yl]sulfanylbut-3-en-2-yl]methanesulfinamide.
What is the SMILES notation for N-[3-[(Z)-hex-2-en-2-yl]sulfanylbut-3-en-2-yl]methanesulfinamide?
The canonical SMILES for N-[3-[(Z)-hex-2-en-2-yl]sulfanylbut-3-en-2-yl]methanesulfinamide is C=C(S/C(C)=C\CCC)C(C)NS(C)=O.
What is the InChIKey of N-[3-[(Z)-hex-2-en-2-yl]sulfanylbut-3-en-2-yl]methanesulfinamide?
The InChIKey is NDAWHJFRWDDFKY-HJWRWDBZSA-N. The full InChI is InChI=1S/C11H21NOS2/c1-6-7-8-9(2)14-11(4)10(3)12-15(5)13/h8,10,12H,4,6-7H2,1-3,5H3/b9-8-.
What are the key properties of N-[3-[(Z)-hex-2-en-2-yl]sulfanylbut-3-en-2-yl]methanesulfinamide?
N-[3-[(Z)-hex-2-en-2-yl]sulfanylbut-3-en-2-yl]methanesulfinamide has a molecular weight of 247.43 g/mol, XLogP of 3.21, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(Z)-hex-2-en-2-yl]sulfanylbut-3-en-2-yl]methanesulfinamide is sourced from PubChem (CID 178138549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).