(Z,2S)-4-methylsulfonylbut-3-en-2-amine

C5H11NO2S — CID 170718426

IUPAC(Z,2S)-4-methylsulfonylbut-3-en-2-amine
SMILESC[C@H](N)/C=C\S(C)(=O)=O
InChIInChI=1S/C5H11NO2S/c1-5(6)3-4-9(2,7)8/h3-5H,6H2,1-2H3/b4-3-/t5-/m0/s1
InChIKeyYNMFOWUQKHDENK-XUELKZDXSA-N
MW149.21 g/mol
LogP-0.11
Rot. Bonds2

About (Z,2S)-4-methylsulfonylbut-3-en-2-amine

(Z,2S)-4-methylsulfonylbut-3-en-2-amine (PubChem CID 170718426) has the molecular formula C5H11NO2S and a molecular weight of 149.21 g/mol. Its IUPAC name is (Z,2S)-4-methylsulfonylbut-3-en-2-amine.

Molecular Properties

Compound Name(Z,2S)-4-methylsulfonylbut-3-en-2-amine
PubChem CID170718426
Molecular FormulaC5H11NO2S
Molecular Weight149.21 g/mol
Exact Mass149.05
IUPAC Name(Z,2S)-4-methylsulfonylbut-3-en-2-amine
SMILESC[C@H](N)/C=C\S(C)(=O)=O
InChIInChI=1S/C5H11NO2S/c1-5(6)3-4-9(2,7)8/h3-5H,6H2,1-2H3/b4-3-/t5-/m0/s1
InChIKeyYNMFOWUQKHDENK-XUELKZDXSA-N
XLogP-0.11
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.21
LogP ≤ 5-0.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-methyl-1-methylsulfonylhex-1-en-3-amine;hydrochloride
CID 53395510
(E)-1,2-bis(methylsulfonyl)ethene
CID 13198777
(2R)-4-methylsulfonyl-1-phenylbut-3-en-2-amine;hydrochloride
CID 171320191
(E)-5-methylhex-3-en-2-amine
CID 103668442
(E)-pent-3-en-2-amine
CID 13149669
(E)-4-methyl-1-methylsulfonylpent-1-en-3-one
CID 165384333
(E,3S)-3-isocyanato-5-methyl-1-methylsulfonylhex-1-ene
CID 56849755
(Z)-1-chloro-2-methylsulfonylethene
CID 5365484
(2S)-2-amino-5-methylsulfonylpent-4-enoic acid
CID 174239098
N-[(E,3S)-5-methyl-1-methylsulfonylhex-1-en-3-yl]propanamide
CID 157320567
4-aminopent-2-enamide
CID 90746791
1-[(Z,2S)-4-methylsulfonylbut-3-en-2-yl]azepane-4-carboxamide
CID 176598766

Frequently Asked Questions

What is the IUPAC name of (Z,2S)-4-methylsulfonylbut-3-en-2-amine?
The IUPAC name of (Z,2S)-4-methylsulfonylbut-3-en-2-amine (CID 170718426) is (Z,2S)-4-methylsulfonylbut-3-en-2-amine.
What is the SMILES notation for (Z,2S)-4-methylsulfonylbut-3-en-2-amine?
The canonical SMILES for (Z,2S)-4-methylsulfonylbut-3-en-2-amine is C[C@H](N)/C=C\S(C)(=O)=O.
What is the InChIKey of (Z,2S)-4-methylsulfonylbut-3-en-2-amine?
The InChIKey is YNMFOWUQKHDENK-XUELKZDXSA-N. The full InChI is InChI=1S/C5H11NO2S/c1-5(6)3-4-9(2,7)8/h3-5H,6H2,1-2H3/b4-3-/t5-/m0/s1.
What are the key properties of (Z,2S)-4-methylsulfonylbut-3-en-2-amine?
(Z,2S)-4-methylsulfonylbut-3-en-2-amine has a molecular weight of 149.21 g/mol, XLogP of -0.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,2S)-4-methylsulfonylbut-3-en-2-amine is sourced from PubChem (CID 170718426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).