1-methyl-N-[(1-methylazepan-2-ylidene)amino]sulfonylazepan-2-imine

C14H26N4O2S — CID 3080000

IUPAC1-methyl-N-[(1-methylazepan-2-ylidene)amino]sulfonylazepan-2-imine
SMILESCN1CCCCCC1=NS(=O)(=O)N=C1CCCCCN1C
InChIInChI=1S/C14H26N4O2S/c1-17-11-7-3-5-9-13(17)15-21(19,20)16-14-10-6-4-8-12-18(14)2/h3-12H2,1-2H3
InChIKeyCLZWGDBXUVFMRD-UHFFFAOYSA-N
MW314.46 g/mol
LogP2.04
Rot. Bonds2

About 1-methyl-N-[(1-methylazepan-2-ylidene)amino]sulfonylazepan-2-imine

1-methyl-N-[(1-methylazepan-2-ylidene)amino]sulfonylazepan-2-imine (PubChem CID 3080000) has the molecular formula C14H26N4O2S and a molecular weight of 314.46 g/mol. Its IUPAC name is 1-methyl-N-[(1-methylazepan-2-ylidene)amino]sulfonylazepan-2-imine.

Molecular Properties

Compound Name1-methyl-N-[(1-methylazepan-2-ylidene)amino]sulfonylazepan-2-imine
PubChem CID3080000
Molecular FormulaC14H26N4O2S
Molecular Weight314.46 g/mol
Exact Mass314.18
IUPAC Name1-methyl-N-[(1-methylazepan-2-ylidene)amino]sulfonylazepan-2-imine
SMILESCN1CCCCCC1=NS(=O)(=O)N=C1CCCCCN1C
InChIInChI=1S/C14H26N4O2S/c1-17-11-7-3-5-9-13(17)15-21(19,20)16-14-10-6-4-8-12-18(14)2/h3-12H2,1-2H3
InChIKeyCLZWGDBXUVFMRD-UHFFFAOYSA-N
XLogP2.04
TPSA65.34 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.46
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(1-methylpyrrolidin-2-ylidene)methanesulfonamide
CID 58158830
4-methyl-N-(1-methylpiperidin-2-ylidene)benzenesulfonamide
CID 3022075
N-[3-[(E)-(1-methylazepan-2-ylidene)amino]sulfonylphenyl]acetamide
CID 166180766
1-[(1-methylpiperidin-2-ylidene)amino]ethanamine
CID 174062395
N-(1-methylazepan-2-ylidene)benzamide
CID 2345180
N-(1-methylpyrrolidin-2-ylidene)hydroxylamine
CID 91177351
(2R)-3-methyl-2-[(1-methylazepan-2-ylidene)amino]-3-sulfanylbutanoic acid
CID 3064594
3-(dimethylamino)-N-[3-[(Z)-(1-methylazepan-2-ylidene)amino]sulfonylphenyl]benzamide
CID 60549464
N-[3-[(E)-(1-methylazepan-2-ylidene)amino]sulfonylphenyl]thiadiazole-5-carboxamide
CID 55920328
CID 174856842
CID 174856842
4-chloro-N-[3-[(E)-(1-methylazepan-2-ylidene)amino]sulfonylphenyl]pyridine-2-carboxamide
CID 55810712
2-chloro-N-[3-[(E)-(1-methylazepan-2-ylidene)amino]sulfonylphenyl]pyridine-3-carboxamide
CID 60549421

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[(1-methylazepan-2-ylidene)amino]sulfonylazepan-2-imine?
The IUPAC name of 1-methyl-N-[(1-methylazepan-2-ylidene)amino]sulfonylazepan-2-imine (CID 3080000) is 1-methyl-N-[(1-methylazepan-2-ylidene)amino]sulfonylazepan-2-imine.
What is the SMILES notation for 1-methyl-N-[(1-methylazepan-2-ylidene)amino]sulfonylazepan-2-imine?
The canonical SMILES for 1-methyl-N-[(1-methylazepan-2-ylidene)amino]sulfonylazepan-2-imine is CN1CCCCCC1=NS(=O)(=O)N=C1CCCCCN1C.
What is the InChIKey of 1-methyl-N-[(1-methylazepan-2-ylidene)amino]sulfonylazepan-2-imine?
The InChIKey is CLZWGDBXUVFMRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O2S/c1-17-11-7-3-5-9-13(17)15-21(19,20)16-14-10-6-4-8-12-18(14)2/h3-12H2,1-2H3.
What are the key properties of 1-methyl-N-[(1-methylazepan-2-ylidene)amino]sulfonylazepan-2-imine?
1-methyl-N-[(1-methylazepan-2-ylidene)amino]sulfonylazepan-2-imine has a molecular weight of 314.46 g/mol, XLogP of 2.04, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[(1-methylazepan-2-ylidene)amino]sulfonylazepan-2-imine is sourced from PubChem (CID 3080000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).