(3Z,5Z)-N'-[(Z)-2-aminoprop-1-enyl]-6-sulfanylhexa-3,5-dienimidamide

C9H15N3S — CID 144754266

IUPAC(3Z,5Z)-N'-[(Z)-2-aminoprop-1-enyl]-6-sulfanylhexa-3,5-dienimidamide
SMILESC/C(N)=C/N=C(\N)C/C=C\C=C/S
InChIInChI=1S/C9H15N3S/c1-8(10)7-12-9(11)5-3-2-4-6-13/h2-4,6-7,13H,5,10H2,1H3,(H2,11,12)/b3-2-,6-4-,8-7-
InChIKeyBSXSMMRYEXBOQH-MLOOLDTESA-N
MW197.31 g/mol
LogP1.55
Rot. Bonds4

About (3Z,5Z)-N'-[(Z)-2-aminoprop-1-enyl]-6-sulfanylhexa-3,5-dienimidamide

(3Z,5Z)-N'-[(Z)-2-aminoprop-1-enyl]-6-sulfanylhexa-3,5-dienimidamide (PubChem CID 144754266) has the molecular formula C9H15N3S and a molecular weight of 197.31 g/mol. Its IUPAC name is (3Z,5Z)-N'-[(Z)-2-aminoprop-1-enyl]-6-sulfanylhexa-3,5-dienimidamide.

Molecular Properties

Compound Name(3Z,5Z)-N'-[(Z)-2-aminoprop-1-enyl]-6-sulfanylhexa-3,5-dienimidamide
PubChem CID144754266
Molecular FormulaC9H15N3S
Molecular Weight197.31 g/mol
Exact Mass197.10
IUPAC Name(3Z,5Z)-N'-[(Z)-2-aminoprop-1-enyl]-6-sulfanylhexa-3,5-dienimidamide
SMILESC/C(N)=C/N=C(\N)C/C=C\C=C/S
InChIInChI=1S/C9H15N3S/c1-8(10)7-12-9(11)5-3-2-4-6-13/h2-4,6-7,13H,5,10H2,1H3,(H2,11,12)/b3-2-,6-4-,8-7-
InChIKeyBSXSMMRYEXBOQH-MLOOLDTESA-N
XLogP1.55
TPSA64.40 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.31
LogP ≤ 51.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze (3Z,5Z)-N'-[(Z)-2-aminoprop-1-enyl]-6-sulfanylhexa-3,5-dienimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(Z)-1-(2-methylpentan-3-ylideneamino)prop-1-en-2-amine
CID 138719703
(3Z)-buta-1,3-diene-1,4-dithiol
CID 131990576
(2E,4Z)-N',2-dimethyl-5-sulfanylpenta-2,4-dienimidamide
CID 142082907
3-amino-N'-[(Z)-2-aminoprop-1-enyl]-2-methylidenebut-3-enimidamide
CID 155349103
ethane;(2E,4Z)-5-sulfanylpenta-2,4-dienal
CID 142915548
N'-[(E)-2-aminoprop-1-enyl]-N-methyl-N-propylethanimidamide;ethane
CID 142097633
(Z)-1-(propylideneamino)prop-1-en-2-amine
CID 144543609
(3E,5E)-octa-3,5-dienamide
CID 55289592
1-[(Z)-2-aminoprop-1-enyl]iminopropan-2-amine
CID 142458889
(Z)-1-[[(Z)-2-methylhex-4-en-3-ylidene]amino]prop-1-en-2-amine
CID 155330670
(2Z,4Z)-7-methylocta-2,4-dien-2-amine
CID 155315035
(2E,4E,7Z,9Z)-5-ethylundeca-2,4,7,9-tetraen-3-amine
CID 89336328

Frequently Asked Questions

What is the IUPAC name of (3Z,5Z)-N'-[(Z)-2-aminoprop-1-enyl]-6-sulfanylhexa-3,5-dienimidamide?
The IUPAC name of (3Z,5Z)-N'-[(Z)-2-aminoprop-1-enyl]-6-sulfanylhexa-3,5-dienimidamide (CID 144754266) is (3Z,5Z)-N'-[(Z)-2-aminoprop-1-enyl]-6-sulfanylhexa-3,5-dienimidamide.
What is the SMILES notation for (3Z,5Z)-N'-[(Z)-2-aminoprop-1-enyl]-6-sulfanylhexa-3,5-dienimidamide?
The canonical SMILES for (3Z,5Z)-N'-[(Z)-2-aminoprop-1-enyl]-6-sulfanylhexa-3,5-dienimidamide is C/C(N)=C/N=C(\N)C/C=C\C=C/S.
What is the InChIKey of (3Z,5Z)-N'-[(Z)-2-aminoprop-1-enyl]-6-sulfanylhexa-3,5-dienimidamide?
The InChIKey is BSXSMMRYEXBOQH-MLOOLDTESA-N. The full InChI is InChI=1S/C9H15N3S/c1-8(10)7-12-9(11)5-3-2-4-6-13/h2-4,6-7,13H,5,10H2,1H3,(H2,11,12)/b3-2-,6-4-,8-7-.
What are the key properties of (3Z,5Z)-N'-[(Z)-2-aminoprop-1-enyl]-6-sulfanylhexa-3,5-dienimidamide?
(3Z,5Z)-N'-[(Z)-2-aminoprop-1-enyl]-6-sulfanylhexa-3,5-dienimidamide has a molecular weight of 197.31 g/mol, XLogP of 1.55, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5Z)-N'-[(Z)-2-aminoprop-1-enyl]-6-sulfanylhexa-3,5-dienimidamide is sourced from PubChem (CID 144754266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).