(Z)-3-amino-2-prop-1-en-2-ylsulfanylbut-2-en-1-ol

C7H13NOS — CID 134458019

IUPAC(Z)-3-amino-2-prop-1-en-2-ylsulfanylbut-2-en-1-ol
SMILESC=C(C)S/C(CO)=C(/C)N
InChIInChI=1S/C7H13NOS/c1-5(2)10-7(4-9)6(3)8/h9H,1,4,8H2,2-3H3/b7-6-
InChIKeyZIYVQQWEVBWBAA-SREVYHEPSA-N
MW159.25 g/mol
LogP1.44
Rot. Bonds3

About (Z)-3-amino-2-prop-1-en-2-ylsulfanylbut-2-en-1-ol

(Z)-3-amino-2-prop-1-en-2-ylsulfanylbut-2-en-1-ol (PubChem CID 134458019) has the molecular formula C7H13NOS and a molecular weight of 159.25 g/mol. Its IUPAC name is (Z)-3-amino-2-prop-1-en-2-ylsulfanylbut-2-en-1-ol.

Molecular Properties

Compound Name(Z)-3-amino-2-prop-1-en-2-ylsulfanylbut-2-en-1-ol
PubChem CID134458019
Molecular FormulaC7H13NOS
Molecular Weight159.25 g/mol
Exact Mass159.07
IUPAC Name(Z)-3-amino-2-prop-1-en-2-ylsulfanylbut-2-en-1-ol
SMILESC=C(C)S/C(CO)=C(/C)N
InChIInChI=1S/C7H13NOS/c1-5(2)10-7(4-9)6(3)8/h9H,1,4,8H2,2-3H3/b7-6-
InChIKeyZIYVQQWEVBWBAA-SREVYHEPSA-N
XLogP1.44
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.25
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(Z)-amino-[amino(prop-1-en-2-ylsulfanyl)methylidene]-methylazanium
CID 89217257
2-methylprop-2-en-1-ol;zirconium
CID 88651592
[amino(methylsulfanyl)methylidene]azanium;ethene-1,1-diamine
CID 159951875
(E)-3-amino-2-(hydroxymethyl)-N'-(1-methylsulfanylethenyl)but-2-enimidamide
CID 174250512
prop-1-en-2-amine;yttrium
CID 158882655
azane;3-chloro-2-methylprop-1-ene
CID 88745979
methanamine;tris(methanediol)
CID 173091621
(4Z)-3-imino-2-N-methyl-7-prop-1-en-2-ylsulfanylocta-1,4,7-triene-2,5-diamine
CID 139572228
ethane;2-methylbutane;prop-1-en-2-amine
CID 144735709
(Z)-3-ethylsulfanylbut-2-en-2-amine
CID 137400576
tetrakis(ethane-1,2-diol);2-methylprop-1-ene
CID 173101980
ethane-1,2-diol;bis(2-methylprop-1-ene)
CID 158620433

Frequently Asked Questions

What is the IUPAC name of (Z)-3-amino-2-prop-1-en-2-ylsulfanylbut-2-en-1-ol?
The IUPAC name of (Z)-3-amino-2-prop-1-en-2-ylsulfanylbut-2-en-1-ol (CID 134458019) is (Z)-3-amino-2-prop-1-en-2-ylsulfanylbut-2-en-1-ol.
What is the SMILES notation for (Z)-3-amino-2-prop-1-en-2-ylsulfanylbut-2-en-1-ol?
The canonical SMILES for (Z)-3-amino-2-prop-1-en-2-ylsulfanylbut-2-en-1-ol is C=C(C)S/C(CO)=C(/C)N.
What is the InChIKey of (Z)-3-amino-2-prop-1-en-2-ylsulfanylbut-2-en-1-ol?
The InChIKey is ZIYVQQWEVBWBAA-SREVYHEPSA-N. The full InChI is InChI=1S/C7H13NOS/c1-5(2)10-7(4-9)6(3)8/h9H,1,4,8H2,2-3H3/b7-6-.
What are the key properties of (Z)-3-amino-2-prop-1-en-2-ylsulfanylbut-2-en-1-ol?
(Z)-3-amino-2-prop-1-en-2-ylsulfanylbut-2-en-1-ol has a molecular weight of 159.25 g/mol, XLogP of 1.44, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-amino-2-prop-1-en-2-ylsulfanylbut-2-en-1-ol is sourced from PubChem (CID 134458019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).