S-[(3Z,5Z)-4-amino-5-methylhepta-1,3,5-trien-3-yl]thiohydroxylamine;ethane

C10H20N2S — CID 176556856

IUPACS-[(3Z,5Z)-4-amino-5-methylhepta-1,3,5-trien-3-yl]thiohydroxylamine;ethane
SMILESC=C/C(SN)=C(N)\C(C)=C/C.CC
InChIInChI=1S/C8H14N2S.C2H6/c1-4-6(3)8(9)7(5-2)11-10;1-2/h4-5H,2,9-10H2,1,3H3;1-2H3/b6-4-,8-7-;
InChIKeyBYEMRRDEXBXYBI-VSZQJPAFSA-N
MW200.35 g/mol
LogP2.94
Rot. Bonds3

About S-[(3Z,5Z)-4-amino-5-methylhepta-1,3,5-trien-3-yl]thiohydroxylamine;ethane

S-[(3Z,5Z)-4-amino-5-methylhepta-1,3,5-trien-3-yl]thiohydroxylamine;ethane (PubChem CID 176556856) has the molecular formula C10H20N2S and a molecular weight of 200.35 g/mol. Its IUPAC name is S-[(3Z,5Z)-4-amino-5-methylhepta-1,3,5-trien-3-yl]thiohydroxylamine;ethane.

Molecular Properties

Compound NameS-[(3Z,5Z)-4-amino-5-methylhepta-1,3,5-trien-3-yl]thiohydroxylamine;ethane
PubChem CID176556856
Molecular FormulaC10H20N2S
Molecular Weight200.35 g/mol
Exact Mass200.13
IUPAC NameS-[(3Z,5Z)-4-amino-5-methylhepta-1,3,5-trien-3-yl]thiohydroxylamine;ethane
SMILESC=C/C(SN)=C(N)\C(C)=C/C.CC
InChIInChI=1S/C8H14N2S.C2H6/c1-4-6(3)8(9)7(5-2)11-10;1-2/h4-5H,2,9-10H2,1,3H3;1-2H3/b6-4-,8-7-;
InChIKeyBYEMRRDEXBXYBI-VSZQJPAFSA-N
XLogP2.94
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.35
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3Z)-4-bromohexa-1,3,5-trien-3-amine;ethane
CID 143722331
(Z)-but-2-en-2-amine;ethane;ethenamine
CID 143379680
3-methylpenta-2,4-dien-2-amine
CID 141358440
(5E)-5-methyl-3,4-dimethylidenehepta-1,5-diene
CID 144801201
ethane;ethene;(2Z)-penta-2,4-diene-2,3-diamine
CID 142059909
S-[(3E,5E)-5-aminohepta-1,3,5-trien-4-yl]thiohydroxylamine
CID 143851361
S-[(E)-3-amino-1-methyliminobut-2-en-2-yl]thiohydroxylamine
CID 153353058
(3Z,5Z)-4,5-dimethylhepta-1,3,5-triene;ethane;methane
CID 143254400
acetamide;prop-2-enamide
CID 158566181
(E)-2-buta-1,3-dien-2-ylsulfanylbut-2-ene
CID 145179900
(2E,5Z)-5-methyl-4-methylidenehepta-2,5-dien-2-amine
CID 169247779
(3E,5Z)-4-bromo-3-methylhepta-1,3,5-triene
CID 144800259

Frequently Asked Questions

What is the IUPAC name of S-[(3Z,5Z)-4-amino-5-methylhepta-1,3,5-trien-3-yl]thiohydroxylamine;ethane?
The IUPAC name of S-[(3Z,5Z)-4-amino-5-methylhepta-1,3,5-trien-3-yl]thiohydroxylamine;ethane (CID 176556856) is S-[(3Z,5Z)-4-amino-5-methylhepta-1,3,5-trien-3-yl]thiohydroxylamine;ethane.
What is the SMILES notation for S-[(3Z,5Z)-4-amino-5-methylhepta-1,3,5-trien-3-yl]thiohydroxylamine;ethane?
The canonical SMILES for S-[(3Z,5Z)-4-amino-5-methylhepta-1,3,5-trien-3-yl]thiohydroxylamine;ethane is C=C/C(SN)=C(N)\C(C)=C/C.CC.
What is the InChIKey of S-[(3Z,5Z)-4-amino-5-methylhepta-1,3,5-trien-3-yl]thiohydroxylamine;ethane?
The InChIKey is BYEMRRDEXBXYBI-VSZQJPAFSA-N. The full InChI is InChI=1S/C8H14N2S.C2H6/c1-4-6(3)8(9)7(5-2)11-10;1-2/h4-5H,2,9-10H2,1,3H3;1-2H3/b6-4-,8-7-;.
What are the key properties of S-[(3Z,5Z)-4-amino-5-methylhepta-1,3,5-trien-3-yl]thiohydroxylamine;ethane?
S-[(3Z,5Z)-4-amino-5-methylhepta-1,3,5-trien-3-yl]thiohydroxylamine;ethane has a molecular weight of 200.35 g/mol, XLogP of 2.94, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for S-[(3Z,5Z)-4-amino-5-methylhepta-1,3,5-trien-3-yl]thiohydroxylamine;ethane is sourced from PubChem (CID 176556856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).