N-[[1-(2-methylpropyl)cyclopropyl]methyl]-1,1-dioxo-1,2-benzothiazol-3-imine

C15H20N2O2S — CID 137248306

IUPACN-[[1-(2-methylpropyl)cyclopropyl]methyl]-1,1-dioxo-1,2-benzothiazol-3-imine
SMILESCC(C)CC1(C/N=C2\NS(=O)(=O)c3ccccc32)CC1
InChIInChI=1S/C15H20N2O2S/c1-11(2)9-15(7-8-15)10-16-14-12-5-3-4-6-13(12)20(18,19)17-14/h3-6,11H,7-10H2,1-2H3,(H,16,17)
InChIKeyNOHPFMFSBLJVKY-UHFFFAOYSA-N
MW292.40 g/mol
LogP2.55
Rot. Bonds4

About N-[[1-(2-methylpropyl)cyclopropyl]methyl]-1,1-dioxo-1,2-benzothiazol-3-imine

N-[[1-(2-methylpropyl)cyclopropyl]methyl]-1,1-dioxo-1,2-benzothiazol-3-imine (PubChem CID 137248306) has the molecular formula C15H20N2O2S and a molecular weight of 292.40 g/mol. Its IUPAC name is N-[[1-(2-methylpropyl)cyclopropyl]methyl]-1,1-dioxo-1,2-benzothiazol-3-imine.

Molecular Properties

Compound NameN-[[1-(2-methylpropyl)cyclopropyl]methyl]-1,1-dioxo-1,2-benzothiazol-3-imine
PubChem CID137248306
Molecular FormulaC15H20N2O2S
Molecular Weight292.40 g/mol
Exact Mass292.12
IUPAC NameN-[[1-(2-methylpropyl)cyclopropyl]methyl]-1,1-dioxo-1,2-benzothiazol-3-imine
SMILESCC(C)CC1(C/N=C2\NS(=O)(=O)c3ccccc32)CC1
InChIInChI=1S/C15H20N2O2S/c1-11(2)9-15(7-8-15)10-16-14-12-5-3-4-6-13(12)20(18,19)17-14/h3-6,11H,7-10H2,1-2H3,(H,16,17)
InChIKeyNOHPFMFSBLJVKY-UHFFFAOYSA-N
XLogP2.55
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(1-methylsulfanylcyclopropyl)methyl]-1,1-dioxo-1,2-benzothiazol-3-imine
CID 136872422
1,1-dioxo-N-propyl-1,2-benzothiazol-3-imine
CID 135452609
N-[3-(2-methylpropoxy)propyl]-1,1-dioxo-1,2-benzothiazol-3-imine
CID 136818972
N-(cyclopropylmethyl)-1,1-dioxo-1,2-benzothiazol-3-imine
CID 135914900
N-benzyl-1,1-dioxo-1,2-benzothiazol-3-imine
CID 135401644
2-[(1,1-dioxo-1,2-benzothiazol-3-ylidene)amino]ethyl 2-methylpropanoate
CID 135404021
1,1-dioxo-N-pentan-2-yl-1,2-benzothiazol-3-imine
CID 135907448
3-[(1,1-dioxo-1,2-benzothiazol-3-ylidene)amino]-1,1-difluoropropan-2-ol
CID 136794774
N-(1-chloro-4-methylpentan-3-yl)-1,1-dioxo-1,2-benzothiazol-3-imine
CID 136993455
3-[(1,1-dioxo-1,2-benzothiazol-3-ylidene)amino]-N-propan-2-ylpropanamide
CID 135728938
1,1-dioxo-N-(1-phenylethyl)-1,2-benzothiazol-3-imine
CID 135440745
3-methylbutyl 3-[(1,1-dioxo-1,2-benzothiazol-3-ylidene)amino]propanoate
CID 135935777

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-methylpropyl)cyclopropyl]methyl]-1,1-dioxo-1,2-benzothiazol-3-imine?
The IUPAC name of N-[[1-(2-methylpropyl)cyclopropyl]methyl]-1,1-dioxo-1,2-benzothiazol-3-imine (CID 137248306) is N-[[1-(2-methylpropyl)cyclopropyl]methyl]-1,1-dioxo-1,2-benzothiazol-3-imine.
What is the SMILES notation for N-[[1-(2-methylpropyl)cyclopropyl]methyl]-1,1-dioxo-1,2-benzothiazol-3-imine?
The canonical SMILES for N-[[1-(2-methylpropyl)cyclopropyl]methyl]-1,1-dioxo-1,2-benzothiazol-3-imine is CC(C)CC1(C/N=C2\NS(=O)(=O)c3ccccc32)CC1.
What is the InChIKey of N-[[1-(2-methylpropyl)cyclopropyl]methyl]-1,1-dioxo-1,2-benzothiazol-3-imine?
The InChIKey is NOHPFMFSBLJVKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2S/c1-11(2)9-15(7-8-15)10-16-14-12-5-3-4-6-13(12)20(18,19)17-14/h3-6,11H,7-10H2,1-2H3,(H,16,17).
What are the key properties of N-[[1-(2-methylpropyl)cyclopropyl]methyl]-1,1-dioxo-1,2-benzothiazol-3-imine?
N-[[1-(2-methylpropyl)cyclopropyl]methyl]-1,1-dioxo-1,2-benzothiazol-3-imine has a molecular weight of 292.40 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-methylpropyl)cyclopropyl]methyl]-1,1-dioxo-1,2-benzothiazol-3-imine is sourced from PubChem (CID 137248306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).