(Z)-2-ethylsulfanyl-N-methylbut-2-en-1-amine;molecular hydrogen

C7H17NS — CID 143258860

IUPAC(Z)-2-ethylsulfanyl-N-methylbut-2-en-1-amine;molecular hydrogen
SMILESC/C=C(/CNC)SCC.[H][H]
InChIInChI=1S/C7H15NS.H2/c1-4-7(6-8-3)9-5-2;/h4,8H,5-6H2,1-3H3;1H/b7-4-;
InChIKeyHKCURSKLQBFHPJ-ZULQGGHCSA-N
MW147.29 g/mol
LogP2.11
Rot. Bonds4

About (Z)-2-ethylsulfanyl-N-methylbut-2-en-1-amine;molecular hydrogen

(Z)-2-ethylsulfanyl-N-methylbut-2-en-1-amine;molecular hydrogen (PubChem CID 143258860) has the molecular formula C7H17NS and a molecular weight of 147.29 g/mol. Its IUPAC name is (Z)-2-ethylsulfanyl-N-methylbut-2-en-1-amine;molecular hydrogen.

Molecular Properties

Compound Name(Z)-2-ethylsulfanyl-N-methylbut-2-en-1-amine;molecular hydrogen
PubChem CID143258860
Molecular FormulaC7H17NS
Molecular Weight147.29 g/mol
Exact Mass147.11
IUPAC Name(Z)-2-ethylsulfanyl-N-methylbut-2-en-1-amine;molecular hydrogen
SMILESC/C=C(/CNC)SCC.[H][H]
InChIInChI=1S/C7H15NS.H2/c1-4-7(6-8-3)9-5-2;/h4,8H,5-6H2,1-3H3;1H/b7-4-;
InChIKeyHKCURSKLQBFHPJ-ZULQGGHCSA-N
XLogP2.11
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.29
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (Z)-2-ethylsulfanyl-N-methylbut-2-en-1-amine;molecular hydrogen?
The IUPAC name of (Z)-2-ethylsulfanyl-N-methylbut-2-en-1-amine;molecular hydrogen (CID 143258860) is (Z)-2-ethylsulfanyl-N-methylbut-2-en-1-amine;molecular hydrogen.
What is the SMILES notation for (Z)-2-ethylsulfanyl-N-methylbut-2-en-1-amine;molecular hydrogen?
The canonical SMILES for (Z)-2-ethylsulfanyl-N-methylbut-2-en-1-amine;molecular hydrogen is C/C=C(/CNC)SCC.[H][H].
What is the InChIKey of (Z)-2-ethylsulfanyl-N-methylbut-2-en-1-amine;molecular hydrogen?
The InChIKey is HKCURSKLQBFHPJ-ZULQGGHCSA-N. The full InChI is InChI=1S/C7H15NS.H2/c1-4-7(6-8-3)9-5-2;/h4,8H,5-6H2,1-3H3;1H/b7-4-;.
What are the key properties of (Z)-2-ethylsulfanyl-N-methylbut-2-en-1-amine;molecular hydrogen?
(Z)-2-ethylsulfanyl-N-methylbut-2-en-1-amine;molecular hydrogen has a molecular weight of 147.29 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-ethylsulfanyl-N-methylbut-2-en-1-amine;molecular hydrogen is sourced from PubChem (CID 143258860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).