(1S,5Z,13Z,15S)-5-[(Z)-but-1-enyl]-6-methyl-2-methylidene-4λ6-thia-3,7-diazabicyclo[13.1.0]hexadeca-5,13-diene 4,4-dioxide

C19H30N2O2S — CID 143643565

IUPAC(1S,5Z,13Z,15S)-5-[(Z)-but-1-enyl]-6-methyl-2-methylidene-4λ6-thia-3,7-diazabicyclo[13.1.0]hexadeca-5,13-diene 4,4-dioxide
SMILESC=C1NS(=O)(=O)C(/C=C\CC)=C(/C)NCCCCC/C=C\[C@@H]2C[C@H]12
InChIInChI=1S/C19H30N2O2S/c1-4-5-12-19-16(3)20-13-10-8-6-7-9-11-17-14-18(17)15(2)21-24(19,22)23/h5,9,11-12,17-18,20-21H,2,4,6-8,10,13-14H2,1,3H3/b11-9-,12-5-,19-16-/t17-,18-/m1/s1
InChIKeyBSQBZGGUIDAXMU-GOBKMPHUSA-N
MW350.53 g/mol
LogP3.97
Rot. Bonds2

About (1S,5Z,13Z,15S)-5-[(Z)-but-1-enyl]-6-methyl-2-methylidene-4λ6-thia-3,7-diazabicyclo[13.1.0]hexadeca-5,13-diene 4,4-dioxide

(1S,5Z,13Z,15S)-5-[(Z)-but-1-enyl]-6-methyl-2-methylidene-4λ6-thia-3,7-diazabicyclo[13.1.0]hexadeca-5,13-diene 4,4-dioxide (PubChem CID 143643565) has the molecular formula C19H30N2O2S and a molecular weight of 350.53 g/mol. Its IUPAC name is (1S,5Z,13Z,15S)-5-[(Z)-but-1-enyl]-6-methyl-2-methylidene-4λ6-thia-3,7-diazabicyclo[13.1.0]hexadeca-5,13-diene 4,4-dioxide.

Molecular Properties

Compound Name(1S,5Z,13Z,15S)-5-[(Z)-but-1-enyl]-6-methyl-2-methylidene-4λ6-thia-3,7-diazabicyclo[13.1.0]hexadeca-5,13-diene 4,4-dioxide
PubChem CID143643565
Molecular FormulaC19H30N2O2S
Molecular Weight350.53 g/mol
Exact Mass350.20
IUPAC Name(1S,5Z,13Z,15S)-5-[(Z)-but-1-enyl]-6-methyl-2-methylidene-4λ6-thia-3,7-diazabicyclo[13.1.0]hexadeca-5,13-diene 4,4-dioxide
SMILESC=C1NS(=O)(=O)C(/C=C\CC)=C(/C)NCCCCC/C=C\[C@@H]2C[C@H]12
InChIInChI=1S/C19H30N2O2S/c1-4-5-12-19-16(3)20-13-10-8-6-7-9-11-17-14-18(17)15(2)21-24(19,22)23/h5,9,11-12,17-18,20-21H,2,4,6-8,10,13-14H2,1,3H3/b11-9-,12-5-,19-16-/t17-,18-/m1/s1
InChIKeyBSQBZGGUIDAXMU-GOBKMPHUSA-N
XLogP3.97
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.53
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (1S,5Z,13Z,15S)-5-[(Z)-but-1-enyl]-6-methyl-2-methylidene-4λ6-thia-3,7-diazabicyclo[13.1.0]hexadeca-5,13-diene 4,4-dioxide 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

N-(4-cyclopropylhexa-2,4-dien-3-yl)-N-[3-(ethylamino)propyl]methanesulfonamide
CID 123806453
N-(6-cyclopropylcyclohexa-1,5-dien-1-yl)-N-[3-(ethylamino)propyl]methanesulfonamide
CID 123899848
(E,2S,4S)-2-ethenyl-5-(ethylamino)-4-methylhept-5-ene-1-sulfonamide
CID 163637469

Frequently Asked Questions

What is the IUPAC name of (1S,5Z,13Z,15S)-5-[(Z)-but-1-enyl]-6-methyl-2-methylidene-4λ6-thia-3,7-diazabicyclo[13.1.0]hexadeca-5,13-diene 4,4-dioxide?
The IUPAC name of (1S,5Z,13Z,15S)-5-[(Z)-but-1-enyl]-6-methyl-2-methylidene-4λ6-thia-3,7-diazabicyclo[13.1.0]hexadeca-5,13-diene 4,4-dioxide (CID 143643565) is (1S,5Z,13Z,15S)-5-[(Z)-but-1-enyl]-6-methyl-2-methylidene-4λ6-thia-3,7-diazabicyclo[13.1.0]hexadeca-5,13-diene 4,4-dioxide.
What is the SMILES notation for (1S,5Z,13Z,15S)-5-[(Z)-but-1-enyl]-6-methyl-2-methylidene-4λ6-thia-3,7-diazabicyclo[13.1.0]hexadeca-5,13-diene 4,4-dioxide?
The canonical SMILES for (1S,5Z,13Z,15S)-5-[(Z)-but-1-enyl]-6-methyl-2-methylidene-4λ6-thia-3,7-diazabicyclo[13.1.0]hexadeca-5,13-diene 4,4-dioxide is C=C1NS(=O)(=O)C(/C=C\CC)=C(/C)NCCCCC/C=C\[C@@H]2C[C@H]12.
What is the InChIKey of (1S,5Z,13Z,15S)-5-[(Z)-but-1-enyl]-6-methyl-2-methylidene-4λ6-thia-3,7-diazabicyclo[13.1.0]hexadeca-5,13-diene 4,4-dioxide?
The InChIKey is BSQBZGGUIDAXMU-GOBKMPHUSA-N. The full InChI is InChI=1S/C19H30N2O2S/c1-4-5-12-19-16(3)20-13-10-8-6-7-9-11-17-14-18(17)15(2)21-24(19,22)23/h5,9,11-12,17-18,20-21H,2,4,6-8,10,13-14H2,1,3H3/b11-9-,12-5-,19-16-/t17-,18-/m1/s1.
What are the key properties of (1S,5Z,13Z,15S)-5-[(Z)-but-1-enyl]-6-methyl-2-methylidene-4λ6-thia-3,7-diazabicyclo[13.1.0]hexadeca-5,13-diene 4,4-dioxide?
(1S,5Z,13Z,15S)-5-[(Z)-but-1-enyl]-6-methyl-2-methylidene-4λ6-thia-3,7-diazabicyclo[13.1.0]hexadeca-5,13-diene 4,4-dioxide has a molecular weight of 350.53 g/mol, XLogP of 3.97, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5Z,13Z,15S)-5-[(Z)-but-1-enyl]-6-methyl-2-methylidene-4λ6-thia-3,7-diazabicyclo[13.1.0]hexadeca-5,13-diene 4,4-dioxide is sourced from PubChem (CID 143643565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).