ethane;(2Z)-N-methyl-3-methylsulfinyl-2-[(Z)-prop-1-enyl]penta-2,4-dien-1-amine

C12H23NOS — CID 143601971

IUPACethane;(2Z)-N-methyl-3-methylsulfinyl-2-[(Z)-prop-1-enyl]penta-2,4-dien-1-amine
SMILESC=C/C(=C(\C=C/C)CNC)S(C)=O.CC
InChIInChI=1S/C10H17NOS.C2H6/c1-5-7-9(8-11-3)10(6-2)13(4)12;1-2/h5-7,11H,2,8H2,1,3-4H3;1-2H3/b7-5-,10-9-;
InChIKeyDJGIPYUNUOUTSA-FJKDQDGBSA-N
MW229.39 g/mol
LogP2.63
Rot. Bonds5

About ethane;(2Z)-N-methyl-3-methylsulfinyl-2-[(Z)-prop-1-enyl]penta-2,4-dien-1-amine

ethane;(2Z)-N-methyl-3-methylsulfinyl-2-[(Z)-prop-1-enyl]penta-2,4-dien-1-amine (PubChem CID 143601971) has the molecular formula C12H23NOS and a molecular weight of 229.39 g/mol. Its IUPAC name is ethane;(2Z)-N-methyl-3-methylsulfinyl-2-[(Z)-prop-1-enyl]penta-2,4-dien-1-amine.

Molecular Properties

Compound Nameethane;(2Z)-N-methyl-3-methylsulfinyl-2-[(Z)-prop-1-enyl]penta-2,4-dien-1-amine
PubChem CID143601971
Molecular FormulaC12H23NOS
Molecular Weight229.39 g/mol
Exact Mass229.15
IUPAC Nameethane;(2Z)-N-methyl-3-methylsulfinyl-2-[(Z)-prop-1-enyl]penta-2,4-dien-1-amine
SMILESC=C/C(=C(\C=C/C)CNC)S(C)=O.CC
InChIInChI=1S/C10H17NOS.C2H6/c1-5-7-9(8-11-3)10(6-2)13(4)12;1-2/h5-7,11H,2,8H2,1,3-4H3;1-2H3/b7-5-,10-9-;
InChIKeyDJGIPYUNUOUTSA-FJKDQDGBSA-N
XLogP2.63
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.39
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze ethane;(2Z)-N-methyl-3-methylsulfinyl-2-[(Z)-prop-1-enyl]penta-2,4-dien-1-amine 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

(2Z,4E)-4-(methylaminomethyl)hexa-2,4-diene-1-sulfinate
CID 126636947
(3Z,5E)-N-methyl-5-(methylaminomethyl)hepta-1,3,5-triene-2-sulfonamide
CID 134550002
ethane;(Z,2Z)-N-methyl-2-[1-[methyl(methylidene)-lambda4-sulfanyl]ethylidene]pent-3-en-1-amine
CID 143342682
4-[(Z)-but-1-enyl]-5-ethenyl-N-methyl-1-oxo-2,3-dihydrothiophen-3-amine;ethane
CID 143343051
ethane;(Z,2Z)-N-methyl-2-(1-methylsulfonylprop-2-enylidene)hex-3-en-1-amine
CID 143346666
ethane;5-ethenyl-N-methyl-1-oxo-4-[(Z)-prop-1-enyl]-2,3-dihydrothiophen-3-amine
CID 143587847
ethane;5-ethenyl-N-methyl-1-oxo-4-[(Z)-prop-1-enyl]-2,3-dihydrothiophen-3-amine
CID 143602023
ethane;(3E)-N-methyl-2-methylidene-4-(methylsulfanylmethyl)hexa-3,5-dien-1-amine
CID 144470946
(6E,8Z,10E)-6,8-dimethyl-1-thia-4-azacycloundeca-6,8,10-triene
CID 145654294
2-(cyclohexa-1,5-dien-1-ylmethylsulfinyl)-N-methylethanamine;molecular hydrogen
CID 153396559
(2Z,4E)-4-(methylaminomethyl)hexa-2,4-diene-1-sulfinic acid
CID 126636948
(Z,2Z)-N-methyl-2-[1-[methyl(methylidene)-lambda4-sulfanyl]ethylidene]pent-3-en-1-amine
CID 143342683

Frequently Asked Questions

What is the IUPAC name of ethane;(2Z)-N-methyl-3-methylsulfinyl-2-[(Z)-prop-1-enyl]penta-2,4-dien-1-amine?
The IUPAC name of ethane;(2Z)-N-methyl-3-methylsulfinyl-2-[(Z)-prop-1-enyl]penta-2,4-dien-1-amine (CID 143601971) is ethane;(2Z)-N-methyl-3-methylsulfinyl-2-[(Z)-prop-1-enyl]penta-2,4-dien-1-amine.
What is the SMILES notation for ethane;(2Z)-N-methyl-3-methylsulfinyl-2-[(Z)-prop-1-enyl]penta-2,4-dien-1-amine?
The canonical SMILES for ethane;(2Z)-N-methyl-3-methylsulfinyl-2-[(Z)-prop-1-enyl]penta-2,4-dien-1-amine is C=C/C(=C(\C=C/C)CNC)S(C)=O.CC.
What is the InChIKey of ethane;(2Z)-N-methyl-3-methylsulfinyl-2-[(Z)-prop-1-enyl]penta-2,4-dien-1-amine?
The InChIKey is DJGIPYUNUOUTSA-FJKDQDGBSA-N. The full InChI is InChI=1S/C10H17NOS.C2H6/c1-5-7-9(8-11-3)10(6-2)13(4)12;1-2/h5-7,11H,2,8H2,1,3-4H3;1-2H3/b7-5-,10-9-;.
What are the key properties of ethane;(2Z)-N-methyl-3-methylsulfinyl-2-[(Z)-prop-1-enyl]penta-2,4-dien-1-amine?
ethane;(2Z)-N-methyl-3-methylsulfinyl-2-[(Z)-prop-1-enyl]penta-2,4-dien-1-amine has a molecular weight of 229.39 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(2Z)-N-methyl-3-methylsulfinyl-2-[(Z)-prop-1-enyl]penta-2,4-dien-1-amine is sourced from PubChem (CID 143601971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).