(Z)-2-methyl-4-propan-2-ylsulfonylbut-2-en-1-amine

C8H17NO2S — CID 106735258

IUPAC(Z)-2-methyl-4-propan-2-ylsulfonylbut-2-en-1-amine
SMILESC/C(=C/CS(=O)(=O)C(C)C)CN
InChIInChI=1S/C8H17NO2S/c1-7(2)12(10,11)5-4-8(3)6-9/h4,7H,5-6,9H2,1-3H3/b8-4-
InChIKeyPOIQKLZLWAUIGI-YWEYNIOJSA-N
MW191.30 g/mol
LogP0.71
Rot. Bonds4

About (Z)-2-methyl-4-propan-2-ylsulfonylbut-2-en-1-amine

(Z)-2-methyl-4-propan-2-ylsulfonylbut-2-en-1-amine (PubChem CID 106735258) has the molecular formula C8H17NO2S and a molecular weight of 191.30 g/mol. Its IUPAC name is (Z)-2-methyl-4-propan-2-ylsulfonylbut-2-en-1-amine.

Molecular Properties

Compound Name(Z)-2-methyl-4-propan-2-ylsulfonylbut-2-en-1-amine
PubChem CID106735258
Molecular FormulaC8H17NO2S
Molecular Weight191.30 g/mol
Exact Mass191.10
IUPAC Name(Z)-2-methyl-4-propan-2-ylsulfonylbut-2-en-1-amine
SMILESC/C(=C/CS(=O)(=O)C(C)C)CN
InChIInChI=1S/C8H17NO2S/c1-7(2)12(10,11)5-4-8(3)6-9/h4,7H,5-6,9H2,1-3H3/b8-4-
InChIKeyPOIQKLZLWAUIGI-YWEYNIOJSA-N
XLogP0.71
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.30
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(E)-3-fluoro-2-(2-methylpropylsulfonylmethyl)prop-2-en-1-amine
CID 19858178
3-Fluoro-2-(2-methylpropylsulfonylmethyl)prop-2-en-1-amine
CID 53998513
(Z)-3-fluoro-2-(2-methylpropylsulfonylmethyl)prop-2-en-1-amine
CID 52914361
3-[(E)-2-methylbut-2-enyl]sulfonylpropan-1-amine
CID 58684118
3-[(E)-2-methylbut-2-enyl]sulfinylpropan-1-amine
CID 58684305
2-(3-Methylbut-2-enylsulfonyl)ethanamine
CID 58684439
2-(4-Methylpent-3-enylsulfonyl)ethanamine
CID 58684442
3-(4-Methylpent-3-enylsulfonyl)propan-1-amine
CID 58684766
3-(3-Methylbut-2-enylsulfonyl)propan-1-amine
CID 58684962
2-[(E)-2-methylbut-2-enyl]sulfonylethanamine
CID 58685088
3-(3-Methylbut-2-enylsulfinyl)propan-1-amine
CID 58685109
3-(2-Methylbut-2-enylsulfonyl)propan-1-amine
CID 72390949

Frequently Asked Questions

What is the IUPAC name of (Z)-2-methyl-4-propan-2-ylsulfonylbut-2-en-1-amine?
The IUPAC name of (Z)-2-methyl-4-propan-2-ylsulfonylbut-2-en-1-amine (CID 106735258) is (Z)-2-methyl-4-propan-2-ylsulfonylbut-2-en-1-amine.
What is the SMILES notation for (Z)-2-methyl-4-propan-2-ylsulfonylbut-2-en-1-amine?
The canonical SMILES for (Z)-2-methyl-4-propan-2-ylsulfonylbut-2-en-1-amine is C/C(=C/CS(=O)(=O)C(C)C)CN.
What is the InChIKey of (Z)-2-methyl-4-propan-2-ylsulfonylbut-2-en-1-amine?
The InChIKey is POIQKLZLWAUIGI-YWEYNIOJSA-N. The full InChI is InChI=1S/C8H17NO2S/c1-7(2)12(10,11)5-4-8(3)6-9/h4,7H,5-6,9H2,1-3H3/b8-4-.
What are the key properties of (Z)-2-methyl-4-propan-2-ylsulfonylbut-2-en-1-amine?
(Z)-2-methyl-4-propan-2-ylsulfonylbut-2-en-1-amine has a molecular weight of 191.30 g/mol, XLogP of 0.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-methyl-4-propan-2-ylsulfonylbut-2-en-1-amine is sourced from PubChem (CID 106735258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).