N-[(E,3S)-5-methyl-1-methylsulfonylhex-1-en-3-yl]propanamide

C11H21NO3S — CID 157320567

IUPACN-[(E,3S)-5-methyl-1-methylsulfonylhex-1-en-3-yl]propanamide
SMILESCCC(=O)N[C@H](/C=C/S(C)(=O)=O)CC(C)C
InChIInChI=1S/C11H21NO3S/c1-5-11(13)12-10(8-9(2)3)6-7-16(4,14)15/h6-7,9-10H,5,8H2,1-4H3,(H,12,13)/b7-6+/t10-/m1/s1
InChIKeyBECPXPCYKWZDKQ-VQCYPWCPSA-N
MW247.36 g/mol
LogP1.49
Rot. Bonds6

About N-[(E,3S)-5-methyl-1-methylsulfonylhex-1-en-3-yl]propanamide

N-[(E,3S)-5-methyl-1-methylsulfonylhex-1-en-3-yl]propanamide (PubChem CID 157320567) has the molecular formula C11H21NO3S and a molecular weight of 247.36 g/mol. Its IUPAC name is N-[(E,3S)-5-methyl-1-methylsulfonylhex-1-en-3-yl]propanamide.

Molecular Properties

Compound NameN-[(E,3S)-5-methyl-1-methylsulfonylhex-1-en-3-yl]propanamide
PubChem CID157320567
Molecular FormulaC11H21NO3S
Molecular Weight247.36 g/mol
Exact Mass247.12
IUPAC NameN-[(E,3S)-5-methyl-1-methylsulfonylhex-1-en-3-yl]propanamide
SMILESCCC(=O)N[C@H](/C=C/S(C)(=O)=O)CC(C)C
InChIInChI=1S/C11H21NO3S/c1-5-11(13)12-10(8-9(2)3)6-7-16(4,14)15/h6-7,9-10H,5,8H2,1-4H3,(H,12,13)/b7-6+/t10-/m1/s1
InChIKeyBECPXPCYKWZDKQ-VQCYPWCPSA-N
XLogP1.49
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.36
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-3-methyl-2-[[(2S)-3-methyl-1-[[(E,3S)-5-methyl-1-methylsulfonylhex-1-en-3-yl]amino]-1-oxobutan-2-yl]carbamoylamino]butanoic acid
CID 56851329
2-[[2-(4-hydroxy-3-iodo-5-nitrophenyl)acetyl]amino]-4-methyl-N-[4-methyl-1-[(5-methyl-1-methylsulfonylhex-1-en-3-yl)amino]-1-oxopentan-2-yl]pentanamide
CID 73226026
5-methyl-1-methylsulfonylhex-1-en-3-amine;hydrochloride
CID 53395510
N-tert-butyl-N-[(3S)-5-methyl-1-methylsulfonylhex-1-en-3-yl]carbamate
CID 57373653
benzyl N-[4-methyl-1-[[4-methyl-1-[[(E)-4-methylsulfonyl-1-phenylbut-3-en-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]carbamate
CID 10210470
(E,3S)-3-isocyanato-5-methyl-1-methylsulfonylhex-1-ene
CID 56849755
(2S)-4-methyl-2-(4-sulfobutanoylamino)pentanoic acid
CID 138523569
tert-butyl 2-methyl-2-[[(4S)-5-[[(2S)-1-[[(E,3S)-5-methyl-1-methylsulfonylhex-1-en-3-yl]amino]-1-oxopropan-2-yl]amino]-5-oxo-4-(phenylmethoxycarbonylamino)pentanoyl]amino]propanoate
CID 11707332
N-propan-2-ylpropanamide;dihydrochloride
CID 172679019
benzyl N-[5-methyl-1-[(2R)-4-methyl-1-[[(E,3S)-5-methyl-1-methylsulfonylhex-1-en-3-yl]amino]-1-oxopentan-2-yl]-2-oxo-3-pyridinyl]carbamate
CID 132532502
(E)-4-(2-aminopropanoylamino)-6-methylhept-2-enoic acid
CID 5364156
N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]propanamide
CID 92510485

Frequently Asked Questions

What is the IUPAC name of N-[(E,3S)-5-methyl-1-methylsulfonylhex-1-en-3-yl]propanamide?
The IUPAC name of N-[(E,3S)-5-methyl-1-methylsulfonylhex-1-en-3-yl]propanamide (CID 157320567) is N-[(E,3S)-5-methyl-1-methylsulfonylhex-1-en-3-yl]propanamide.
What is the SMILES notation for N-[(E,3S)-5-methyl-1-methylsulfonylhex-1-en-3-yl]propanamide?
The canonical SMILES for N-[(E,3S)-5-methyl-1-methylsulfonylhex-1-en-3-yl]propanamide is CCC(=O)N[C@H](/C=C/S(C)(=O)=O)CC(C)C.
What is the InChIKey of N-[(E,3S)-5-methyl-1-methylsulfonylhex-1-en-3-yl]propanamide?
The InChIKey is BECPXPCYKWZDKQ-VQCYPWCPSA-N. The full InChI is InChI=1S/C11H21NO3S/c1-5-11(13)12-10(8-9(2)3)6-7-16(4,14)15/h6-7,9-10H,5,8H2,1-4H3,(H,12,13)/b7-6+/t10-/m1/s1.
What are the key properties of N-[(E,3S)-5-methyl-1-methylsulfonylhex-1-en-3-yl]propanamide?
N-[(E,3S)-5-methyl-1-methylsulfonylhex-1-en-3-yl]propanamide has a molecular weight of 247.36 g/mol, XLogP of 1.49, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E,3S)-5-methyl-1-methylsulfonylhex-1-en-3-yl]propanamide is sourced from PubChem (CID 157320567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).